data_19232 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19232 _Entry.PDB_ID 2M88 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19232 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 18 18 SER N N 18 122.200 122.200 114.682 7.518 19232 2 1 1 . 1 1 18 18 SER H H 18 8.786 8.786 7.988 0.798 19232 3 1 1 . 1 1 19 19 TYR N N 19 115.700 115.700 122.700 -7.000 19232 4 1 1 . 1 1 19 19 TYR H H 19 8.135 8.135 7.717 0.418 19232 5 1 1 . 1 1 20 20 ASP N N 20 126.400 126.400 126.916 -0.516 19232 6 1 1 . 1 1 20 20 ASP H H 20 9.595 9.595 8.548 1.047 19232 7 1 1 . 1 1 22 22 THR N N 22 113.200 113.200 116.339 -3.139 19232 8 1 1 . 1 1 22 22 THR H H 22 8.875 8.875 7.891 0.984 19232 9 1 1 . 1 1 23 23 LEU N N 23 122.800 122.800 124.748 -1.948 19232 10 1 1 . 1 1 23 23 LEU H H 23 6.765 6.765 7.903 -1.138 19232 11 1 1 . 1 1 26 26 ASP N N 26 123.500 123.500 118.157 5.343 19232 12 1 1 . 1 1 26 26 ASP H H 26 9.395 9.395 7.576 1.819 19232 13 1 1 . 1 1 27 27 HIS N N 27 116.900 116.900 115.584 1.316 19232 14 1 1 . 1 1 27 27 HIS H H 27 7.965 7.965 8.421 -0.456 19232 15 1 1 . 1 1 28 28 ILE N N 28 113.200 113.200 118.269 -5.069 19232 16 1 1 . 1 1 28 28 ILE H H 28 8.115 8.115 7.671 0.444 19232 17 1 1 . 1 1 29 29 LYS N N 29 123.200 123.200 126.970 -3.770 19232 18 1 1 . 1 1 29 29 LYS H H 29 8.610 8.610 8.509 0.101 19232 19 1 1 . 1 1 30 30 VAL N N 30 122.300 122.300 121.735 0.565 19232 20 1 1 . 1 1 30 30 VAL H H 30 8.130 8.130 7.970 0.160 19232 21 1 1 . 1 1 31 31 TYR N N 31 124.000 124.000 122.743 1.257 19232 22 1 1 . 1 1 31 31 TYR H H 31 8.520 8.520 8.917 -0.397 19232 23 1 1 . 1 1 32 32 SER N N 32 117.600 117.600 114.114 3.486 19232 24 1 1 . 1 1 32 32 SER H H 32 7.295 7.295 7.487 -0.192 19232 25 1 1 . 1 1 33 33 ARG N N 33 125.000 125.000 125.994 -0.994 19232 26 1 1 . 1 1 33 33 ARG H H 33 9.485 9.485 8.697 0.788 19232 27 1 1 . 1 1 34 34 THR N N 34 119.400 119.400 110.524 8.876 19232 28 1 1 . 1 1 34 34 THR H H 34 9.235 9.235 7.771 1.464 19232 29 1 1 . 1 1 35 35 LEU N N 35 126.200 126.200 122.020 4.180 19232 30 1 1 . 1 1 35 35 LEU H H 35 9.510 9.510 8.086 1.424 19232 31 1 1 . 1 1 36 36 PHE N N 36 124.000 124.000 129.468 -5.468 19232 32 1 1 . 1 1 36 36 PHE H H 36 8.820 8.820 9.540 -0.720 19232 33 1 1 . 1 1 37 37 ILE N N 37 127.200 127.200 126.273 0.927 19232 34 1 1 . 1 1 37 37 ILE H H 37 8.260 8.260 7.885 0.375 19232 35 1 1 . 1 1 38 38 GLY N N 38 112.400 112.400 110.758 1.642 19232 36 1 1 . 1 1 38 38 GLY H H 38 8.670 8.670 8.124 0.546 19232 37 1 1 . 1 1 39 39 GLY N N 39 108.300 108.300 108.637 -0.337 19232 38 1 1 . 1 1 39 39 GLY H H 39 8.360 8.360 8.240 0.120 19232 39 1 1 . 1 1 40 40 VAL N N 40 121.200 121.200 116.881 4.319 19232 40 1 1 . 1 1 40 40 VAL H H 40 7.380 7.380 7.583 -0.203 19232 41 1 1 . 1 1 42 42 LEU N N 42 120.800 120.800 119.947 0.853 19232 42 1 1 . 1 1 42 42 LEU H H 42 8.225 8.225 7.525 0.700 19232 43 1 1 . 1 1 43 43 ASN N N 43 112.300 112.300 121.347 -9.047 19232 44 1 1 . 1 1 43 43 ASN H H 43 7.980 7.980 8.641 -0.661 19232 45 1 1 . 1 1 44 44 MET N N 44 122.000 122.000 116.753 5.247 19232 46 1 1 . 1 1 44 44 MET H H 44 7.470 7.470 7.858 -0.388 19232 47 1 1 . 1 1 45 45 LYS N N 45 124.100 124.100 119.822 4.278 19232 48 1 1 . 1 1 45 45 LYS H H 45 8.945 8.945 7.920 1.025 19232 49 1 1 . 1 1 46 46 GLU N N 46 122.400 122.400 126.286 -3.886 19232 50 1 1 . 1 1 46 46 GLU H H 46 9.985 9.985 9.004 0.981 19232 51 1 1 . 1 1 47 47 TRP N N 47 115.200 115.200 115.909 -0.709 19232 52 1 1 . 1 1 47 47 TRP H H 47 7.840 7.840 7.542 0.298 19232 53 1 1 . 1 1 48 48 ASP N N 48 118.900 118.900 120.674 -1.774 19232 54 1 1 . 1 1 48 48 ASP H H 48 6.700 6.700 7.349 -0.649 19232 55 1 1 . 1 1 49 49 LEU N N 49 120.300 120.300 119.635 0.665 19232 56 1 1 . 1 1 49 49 LEU H H 49 7.555 7.555 7.383 0.172 19232 57 1 1 . 1 1 50 50 ALA N N 50 118.800 118.800 121.402 -2.602 19232 58 1 1 . 1 1 50 50 ALA H H 50 7.705 7.705 7.508 0.197 19232 59 1 1 . 1 1 51 51 ASN N N 51 115.900 115.900 115.056 0.844 19232 60 1 1 . 1 1 51 51 ASN H H 51 7.805 7.805 7.747 0.058 19232 61 1 1 . 1 1 52 52 VAL N N 52 116.000 116.000 112.150 3.850 19232 62 1 1 . 1 1 52 52 VAL H H 52 7.855 7.855 7.195 0.660 19232 63 1 1 . 1 1 53 53 LEU N N 53 116.700 116.700 119.868 -3.168 19232 64 1 1 . 1 1 53 53 LEU H H 53 6.925 6.925 7.281 -0.356 19232 65 1 1 . 1 1 54 54 LYS N N 54 122.400 122.400 121.453 0.947 19232 66 1 1 . 1 1 54 54 LYS H H 54 7.120 7.120 7.735 -0.615 19232 67 1 1 . 1 1 56 56 PHE N N 56 113.000 113.000 116.033 -3.033 19232 68 1 1 . 1 1 56 56 PHE H H 56 8.285 8.285 8.333 -0.048 19232 69 1 1 . 1 1 57 57 ALA N N 57 119.300 119.300 118.564 0.736 19232 70 1 1 . 1 1 57 57 ALA H H 57 8.155 8.155 7.151 1.004 19232 71 1 1 . 1 1 58 58 GLU N N 58 119.300 119.300 120.600 -1.300 19232 72 1 1 . 1 1 58 58 GLU H H 58 8.130 8.130 8.653 -0.523 19232 73 1 1 . 1 1 59 59 VAL N N 59 124.200 124.200 121.738 2.462 19232 74 1 1 . 1 1 59 59 VAL H H 59 7.800 7.800 7.862 -0.062 19232 75 1 1 . 1 1 60 60 GLN N N 60 130.300 130.300 126.303 3.997 19232 76 1 1 . 1 1 60 60 GLN H H 60 8.720 8.720 8.975 -0.255 19232 77 1 1 . 1 1 61 61 SER N N 61 111.000 111.000 114.596 -3.596 19232 78 1 1 . 1 1 61 61 SER H H 61 7.560 7.560 7.641 -0.081 19232 79 1 1 . 1 1 62 62 VAL N N 62 121.900 121.900 125.761 -3.861 19232 80 1 1 . 1 1 62 62 VAL H H 62 8.310 8.310 8.592 -0.282 19232 81 1 1 . 1 1 63 63 ILE N N 63 127.700 127.700 122.145 5.555 19232 82 1 1 . 1 1 63 63 ILE H H 63 8.735 8.735 8.925 -0.190 19232 83 1 1 . 1 1 64 64 LEU N N 64 130.400 130.400 126.925 3.475 19232 84 1 1 . 1 1 64 64 LEU H H 64 9.160 9.160 8.501 0.659 19232 85 1 1 . 1 1 69 69 LYS N N 69 116.400 116.400 116.349 0.051 19232 86 1 1 . 1 1 69 69 LYS H H 69 7.665 7.665 7.673 -0.008 19232 87 1 1 . 1 1 70 70 HIS N N 70 113.800 113.800 116.566 -2.766 19232 88 1 1 . 1 1 70 70 HIS H H 70 7.510 7.510 7.488 0.022 19232 89 1 1 . 1 1 71 71 ALA N N 71 120.500 120.500 125.821 -5.321 19232 90 1 1 . 1 1 71 71 ALA H H 71 8.745 8.745 7.823 0.922 19232 91 1 1 . 1 1 72 72 PHE N N 72 118.100 118.100 118.150 -0.050 19232 92 1 1 . 1 1 72 72 PHE H H 72 8.685 8.685 8.523 0.162 19232 93 1 1 . 1 1 73 73 VAL N N 73 125.900 125.900 115.338 10.562 19232 94 1 1 . 1 1 73 73 VAL H H 73 9.425 9.425 9.274 0.151 19232 95 1 1 . 1 1 74 74 LYS N N 74 129.700 129.700 124.291 5.409 19232 96 1 1 . 1 1 74 74 LYS H H 74 8.725 8.725 8.692 0.033 19232 97 1 1 . 1 1 75 75 VAL N N 75 118.800 118.800 119.926 -1.126 19232 98 1 1 . 1 1 75 75 VAL H H 75 8.385 8.385 8.415 -0.030 19232 99 1 1 . 1 1 76 76 TYR N N 76 114.800 114.800 126.305 -11.505 19232 100 1 1 . 1 1 76 76 TYR H H 76 6.995 6.995 8.601 -1.606 19232 101 1 1 . 1 1 77 77 SER N N 77 107.200 107.200 114.066 -6.866 19232 102 1 1 . 1 1 77 77 SER H H 77 7.150 7.150 7.564 -0.414 19232 103 1 1 . 1 1 78 78 ARG N N 78 124.900 124.900 124.396 0.504 19232 104 1 1 . 1 1 78 78 ARG H H 78 9.225 9.225 8.956 0.269 19232 105 1 1 . 1 1 79 79 HIS N N 79 119.900 119.900 117.279 2.621 19232 106 1 1 . 1 1 79 79 HIS H H 79 9.105 9.105 7.923 1.182 19232 107 1 1 . 1 1 80 80 GLU N N 80 118.200 118.200 119.590 -1.390 19232 108 1 1 . 1 1 80 80 GLU H H 80 7.690 7.690 7.671 0.019 19232 109 1 1 . 1 1 81 81 ALA N N 81 123.500 123.500 122.665 0.835 19232 110 1 1 . 1 1 81 81 ALA H H 81 7.695 7.695 7.415 0.280 19232 111 1 1 . 1 1 82 82 GLU N N 82 116.400 116.400 116.744 -0.344 19232 112 1 1 . 1 1 82 82 GLU H H 82 8.450 8.450 7.643 0.807 19232 113 1 1 . 1 1 83 83 ASN N N 83 118.500 118.500 117.304 1.196 19232 114 1 1 . 1 1 83 83 ASN H H 83 7.835 7.835 7.600 0.235 19232 115 1 1 . 1 1 84 84 VAL N N 84 118.300 118.300 121.467 -3.167 19232 116 1 1 . 1 1 84 84 VAL H H 84 7.785 7.785 7.457 0.328 19232 117 1 1 . 1 1 85 85 LEU N N 85 119.400 119.400 118.283 1.117 19232 118 1 1 . 1 1 85 85 LEU H H 85 7.590 7.590 7.560 0.030 19232 119 1 1 . 1 1 86 86 GLN N N 86 113.600 113.600 119.976 -6.376 19232 120 1 1 . 1 1 86 86 GLN H H 86 7.985 7.985 7.706 0.279 19232 121 1 1 . 1 1 87 87 ASN N N 87 112.000 112.000 117.757 -5.757 19232 122 1 1 . 1 1 87 87 ASN H H 87 7.545 7.545 7.663 -0.118 19232 123 1 1 . 1 1 88 88 PHE N N 88 121.900 121.900 116.496 5.404 19232 124 1 1 . 1 1 88 88 PHE H H 88 8.265 8.265 8.657 -0.392 19232 125 1 1 . 1 1 89 89 ASN N N 89 126.900 126.900 114.937 11.963 19232 126 1 1 . 1 1 89 89 ASN H H 89 8.515 8.515 7.712 0.803 19232 127 1 1 . 1 1 90 90 LYS N N 90 119.900 119.900 118.773 1.127 19232 128 1 1 . 1 1 90 90 LYS H H 90 7.655 7.655 7.703 -0.048 19232 129 1 1 . 1 1 91 91 ASP N N 91 115.600 115.600 120.972 -5.372 19232 130 1 1 . 1 1 91 91 ASP H H 91 8.050 8.050 7.794 0.256 19232 131 1 1 . 1 1 92 92 GLY N N 92 108.400 108.400 106.180 2.220 19232 132 1 1 . 1 1 92 92 GLY H H 92 7.425 7.425 8.455 -1.030 19232 133 1 1 . 1 1 93 93 ALA N N 93 122.000 122.000 121.208 0.792 19232 134 1 1 . 1 1 93 93 ALA H H 93 7.545 7.545 8.009 -0.464 19232 135 1 1 . 1 1 94 94 LEU N N 94 115.600 115.600 122.818 -7.218 19232 136 1 1 . 1 1 94 94 LEU H H 94 8.455 8.455 8.051 0.404 19232 137 1 1 . 1 1 96 96 LEU N N 96 115.700 115.700 118.254 -2.554 19232 138 1 1 . 1 1 96 96 LEU H H 96 5.775 5.775 7.610 -1.835 19232 139 1 1 . 1 1 97 97 ARG N N 97 123.300 123.300 122.366 0.934 19232 140 1 1 . 1 1 97 97 ARG H H 97 8.290 8.290 8.840 -0.550 19232 141 1 1 . 1 1 98 98 THR N N 98 120.000 120.000 116.243 3.757 19232 142 1 1 . 1 1 98 98 THR H H 98 8.280 8.280 8.058 0.222 19232 143 1 1 . 1 1 99 99 ARG N N 99 122.300 122.300 125.066 -2.766 19232 144 1 1 . 1 1 99 99 ARG H H 99 9.005 9.005 8.755 0.250 19232 145 1 1 . 1 1 100 100 TRP N N 100 120.100 120.100 120.596 -0.496 19232 146 1 1 . 1 1 100 100 TRP H H 100 8.325 8.325 8.844 -0.519 19232 147 1 1 . 1 1 101 101 GLY N N 101 107.300 107.300 107.052 0.248 19232 148 1 1 . 1 1 101 101 GLY H H 101 8.940 8.940 8.042 0.898 19232 149 1 1 . 1 1 102 102 VAL N N 102 119.800 119.800 118.495 1.305 19232 150 1 1 . 1 1 102 102 VAL H H 102 8.130 8.130 8.215 -0.085 19232 151 1 1 . 1 1 103 103 GLY N N 103 117.200 117.200 114.443 2.757 19232 152 1 1 . 1 1 103 103 GLY H H 103 9.440 9.440 7.976 1.464 19232 153 1 1 . 1 1 104 104 PHE N N 104 120.600 120.600 118.909 1.691 19232 154 1 1 . 1 1 104 104 PHE H H 104 7.280 7.280 8.073 -0.793 19232 155 1 1 . 1 1 105 105 GLY N N 105 117.100 117.100 108.936 8.164 19232 156 1 1 . 1 1 105 105 GLY H H 105 8.565 8.565 7.948 0.617 19232 157 1 1 . 1 1 109 109 CYS N N 109 115.300 115.300 115.472 -0.172 19232 158 1 1 . 1 1 109 109 CYS H H 109 6.915 6.915 8.216 -1.301 19232 159 1 1 . 1 1 110 110 CYS N N 110 119.000 119.000 122.891 -3.891 19232 160 1 1 . 1 1 110 110 CYS H H 110 7.130 7.130 8.187 -1.057 19232 161 1 1 . 1 1 111 111 ASP N N 111 128.800 128.800 120.116 8.684 19232 162 1 1 . 1 1 111 111 ASP H H 111 8.245 8.245 7.787 0.459 19232 163 1 1 . 1 1 112 112 TYR N N 112 124.400 124.400 120.799 3.601 19232 164 1 1 . 1 1 112 112 TYR H H 112 8.425 8.425 8.522 -0.097 19232 165 1 1 . 1 1 113 113 GLN N N 113 117.900 117.900 118.464 -0.564 19232 166 1 1 . 1 1 113 113 GLN H H 113 8.065 8.065 8.025 0.040 19232 167 1 1 . 1 1 114 114 HIS N N 114 114.200 114.200 115.327 -1.127 19232 168 1 1 . 1 1 114 114 HIS H H 114 6.925 6.925 7.857 -0.932 19232 169 1 1 . 1 1 115 115 GLY N N 115 109.200 109.200 105.955 3.245 19232 170 1 1 . 1 1 115 115 GLY H H 115 8.430 8.430 7.574 0.856 19232 171 1 1 . 1 1 116 116 TYR N N 116 115.800 115.800 118.780 -2.980 19232 172 1 1 . 1 1 116 116 TYR H H 116 6.695 6.695 7.459 -0.764 19232 173 1 1 . 1 1 117 117 SER N N 117 116.200 116.200 115.549 0.651 19232 174 1 1 . 1 1 117 117 SER H H 117 8.745 8.745 7.808 0.937 19232 175 1 1 . 1 1 118 118 ILE N N 118 126.500 126.500 119.187 7.313 19232 176 1 1 . 1 1 118 118 ILE H H 118 7.560 7.560 8.348 -0.788 19232 177 1 1 . 1 1 121 121 MET N N 121 124.000 124.000 113.554 10.446 19232 178 1 1 . 1 1 121 121 MET H H 121 8.885 8.885 7.987 0.898 19232 179 1 1 . 1 1 122 122 HIS N N 122 113.700 113.700 116.560 -2.860 19232 180 1 1 . 1 1 122 122 HIS H H 122 7.855 7.855 7.494 0.361 19232 181 1 1 . 1 1 123 123 ARG N N 123 117.500 117.500 121.168 -3.668 19232 182 1 1 . 1 1 123 123 ARG H H 123 7.320 7.320 7.584 -0.264 19232 183 1 1 . 1 1 124 124 LEU N N 124 119.300 119.300 119.677 -0.377 19232 184 1 1 . 1 1 124 124 LEU H H 124 7.120 7.120 7.533 -0.413 19232 185 1 1 . 1 1 125 125 THR N N 125 116.000 116.000 115.147 0.853 19232 186 1 1 . 1 1 125 125 THR H H 125 9.485 9.485 7.203 2.282 19232 187 1 1 . 1 1 126 126 ASP N N 126 121.700 121.700 120.126 1.574 19232 188 1 1 . 1 1 126 126 ASP H H 126 8.750 8.750 7.629 1.121 19232 189 1 1 . 1 1 127 127 ALA N N 127 123.300 123.300 121.106 2.194 19232 190 1 1 . 1 1 127 127 ALA H H 127 8.105 8.105 7.556 0.549 19232 191 1 1 . 1 1 128 128 ASP N N 128 118.700 118.700 118.101 0.599 19232 192 1 1 . 1 1 128 128 ASP H H 128 7.675 7.675 7.799 -0.124 19232 193 1 1 . 1 1 129 129 LYS N N 129 120.100 120.100 118.780 1.320 19232 194 1 1 . 1 1 129 129 LYS H H 129 7.985 7.985 7.556 0.429 19232 195 1 1 . 1 1 130 130 LYS N N 130 121.500 121.500 120.183 1.317 19232 196 1 1 . 1 1 130 130 LYS H H 130 7.705 7.705 7.519 0.186 19232 197 1 1 . 1 1 131 131 TRP N N 131 122.200 122.200 118.618 3.582 19232 198 1 1 . 1 1 131 131 TRP H H 131 8.905 8.905 7.462 1.444 19232 199 1 1 . 1 1 132 132 SER N N 132 111.800 111.800 113.778 -1.978 19232 200 1 1 . 1 1 132 132 SER H H 132 7.880 7.880 7.908 -0.028 19232 201 1 1 . 1 1 133 133 VAL N N 133 110.900 110.900 119.348 -8.448 19232 202 1 1 . 1 1 133 133 VAL H H 133 6.685 6.685 7.316 -0.631 19232 203 1 1 . 1 1 134 134 SER N N 134 112.900 112.900 115.283 -2.383 19232 204 1 1 . 1 1 134 134 SER H H 134 7.495 7.495 7.638 -0.143 19232 205 1 1 . 1 1 135 135 ALA N N 135 125.800 125.800 124.710 1.090 19232 206 1 1 . 1 1 135 135 ALA H H 135 7.735 7.735 8.653 -0.918 19232 207 1 1 . 1 1 136 136 GLN N N 136 118.500 118.500 116.850 1.650 19232 208 1 1 . 1 1 136 136 GLN H H 136 8.825 8.825 8.489 0.336 19232 209 1 1 . 1 1 137 137 TRP N N 137 120.200 120.200 119.512 0.688 19232 210 1 1 . 1 1 137 137 TRP H H 137 8.385 8.385 7.635 0.750 19232 211 1 1 . 1 1 138 138 GLY N N 138 107.300 107.300 108.713 -1.413 19232 212 1 1 . 1 1 138 138 GLY H H 138 8.400 8.400 8.556 -0.156 19232 213 1 1 . 1 1 139 139 GLY N N 139 101.600 101.600 107.316 -5.716 19232 214 1 1 . 1 1 139 139 GLY H H 139 8.400 8.400 8.316 0.084 19232 215 1 1 . 1 1 140 140 THR N N 140 107.900 107.900 114.732 -6.832 19232 216 1 1 . 1 1 140 140 THR H H 140 8.495 8.495 8.260 0.235 19232 217 1 1 . 1 1 141 141 SER N N 141 120.200 120.200 114.911 5.289 19232 218 1 1 . 1 1 141 141 SER H H 141 9.350 9.350 8.538 0.812 19232 219 1 1 . 1 1 142 142 GLY N N 142 105.800 105.800 107.216 -1.416 19232 220 1 1 . 1 1 142 142 GLY H H 142 7.880 7.880 8.126 -0.246 19232 221 1 1 . 1 1 143 143 GLN N N 143 123.100 123.100 116.926 6.174 19232 222 1 1 . 1 1 143 143 GLN H H 143 7.350 7.350 7.674 -0.324 19232 223 1 1 . 1 1 145 145 LEU N N 145 118.500 118.500 115.167 3.333 19232 224 1 1 . 1 1 145 145 LEU H H 145 8.130 8.130 7.617 0.513 19232 225 1 1 . 1 1 146 146 VAL N N 146 116.600 116.600 111.909 4.691 19232 226 1 1 . 1 1 146 146 VAL H H 146 6.550 6.550 7.276 -0.726 19232 227 1 1 . 1 1 147 147 THR N N 147 117.400 117.400 114.736 2.664 19232 228 1 1 . 1 1 147 147 THR H H 147 8.355 8.355 7.447 0.908 19232 229 1 1 . 1 1 148 148 GLY N N 148 113.700 113.700 110.151 3.549 19232 230 1 1 . 1 1 148 148 GLY H H 148 8.970 8.970 7.480 1.490 19232 231 1 1 . 1 1 149 149 ILE N N 149 121.700 121.700 122.333 -0.633 19232 232 1 1 . 1 1 149 149 ILE H H 149 7.865 7.865 7.540 0.325 19232 233 1 1 . 1 1 150 150 VAL N N 150 125.800 125.800 109.557 16.243 19232 234 1 1 . 1 1 150 150 VAL H H 150 8.120 8.120 7.961 0.159 19232 235 1 1 . 1 1 151 151 PHE N N 151 118.300 118.300 119.065 -0.765 19232 236 1 1 . 1 1 151 151 PHE H H 151 7.965 7.965 7.732 0.233 19232 237 1 1 . 1 1 152 152 GLU N N 152 118.100 118.100 122.489 -4.389 19232 238 1 1 . 1 1 152 152 GLU H H 152 9.530 9.530 8.836 0.694 19232 239 1 1 . 1 1 158 158 VAL N N 158 126.000 126.000 129.197 -3.197 19232 240 1 1 . 1 1 158 158 VAL H H 158 8.200 8.200 8.171 0.029 19232 241 1 1 . 1 1 159 159 GLY N N 159 113.000 113.000 113.810 -0.810 19232 242 1 1 . 1 1 159 159 GLY H H 159 8.440 8.440 8.387 0.053 19232 243 1 1 . 1 1 160 160 GLU N N 160 120.700 120.700 119.145 1.555 19232 244 1 1 . 1 1 160 160 GLU H H 160 8.270 8.270 9.024 -0.754 19232 245 1 1 . 1 1 162 162 VAL N N 162 120.000 120.000 121.269 -1.269 19232 246 1 1 . 1 1 162 162 VAL H H 162 7.960 7.960 8.145 -0.185 19232 247 1 2 . 1 1 18 18 SER N N 18 122.200 122.200 120.609 1.591 19232 248 1 2 . 1 1 18 18 SER H H 18 8.786 8.786 7.805 0.981 19232 249 1 2 . 1 1 19 19 TYR N N 19 115.700 115.700 122.305 -6.605 19232 250 1 2 . 1 1 19 19 TYR H H 19 8.135 8.135 8.580 -0.445 19232 251 1 2 . 1 1 20 20 ASP N N 20 126.400 126.400 124.979 1.421 19232 252 1 2 . 1 1 20 20 ASP H H 20 9.595 9.595 8.009 1.586 19232 253 1 2 . 1 1 22 22 THR N N 22 113.200 113.200 116.165 -2.965 19232 254 1 2 . 1 1 22 22 THR H H 22 8.875 8.875 7.610 1.265 19232 255 1 2 . 1 1 23 23 LEU N N 23 122.800 122.800 125.424 -2.624 19232 256 1 2 . 1 1 23 23 LEU H H 23 6.765 6.765 7.689 -0.924 19232 257 1 2 . 1 1 26 26 ASP N N 26 123.500 123.500 120.618 2.882 19232 258 1 2 . 1 1 26 26 ASP H H 26 9.395 9.395 7.909 1.486 19232 259 1 2 . 1 1 27 27 HIS N N 27 116.900 116.900 119.978 -3.078 19232 260 1 2 . 1 1 27 27 HIS H H 27 7.965 7.965 8.206 -0.241 19232 261 1 2 . 1 1 28 28 ILE N N 28 113.200 113.200 123.037 -9.837 19232 262 1 2 . 1 1 28 28 ILE H H 28 8.115 8.115 8.338 -0.223 19232 263 1 2 . 1 1 29 29 LYS N N 29 123.200 123.200 125.046 -1.846 19232 264 1 2 . 1 1 29 29 LYS H H 29 8.610 8.610 8.403 0.207 19232 265 1 2 . 1 1 30 30 VAL N N 30 122.300 122.300 117.830 4.470 19232 266 1 2 . 1 1 30 30 VAL H H 30 8.130 8.130 7.930 0.200 19232 267 1 2 . 1 1 31 31 TYR N N 31 124.000 124.000 116.285 7.715 19232 268 1 2 . 1 1 31 31 TYR H H 31 8.520 8.520 7.445 1.075 19232 269 1 2 . 1 1 32 32 SER N N 32 117.600 117.600 117.348 0.252 19232 270 1 2 . 1 1 32 32 SER H H 32 7.295 7.295 8.870 -1.575 19232 271 1 2 . 1 1 33 33 ARG N N 33 125.000 125.000 126.112 -1.112 19232 272 1 2 . 1 1 33 33 ARG H H 33 9.485 9.485 8.445 1.040 19232 273 1 2 . 1 1 34 34 THR N N 34 119.400 119.400 113.120 6.280 19232 274 1 2 . 1 1 34 34 THR H H 34 9.235 9.235 8.808 0.427 19232 275 1 2 . 1 1 35 35 LEU N N 35 126.200 126.200 123.003 3.197 19232 276 1 2 . 1 1 35 35 LEU H H 35 9.510 9.510 8.031 1.479 19232 277 1 2 . 1 1 36 36 PHE N N 36 124.000 124.000 128.002 -4.002 19232 278 1 2 . 1 1 36 36 PHE H H 36 8.820 8.820 9.524 -0.704 19232 279 1 2 . 1 1 37 37 ILE N N 37 127.200 127.200 123.426 3.774 19232 280 1 2 . 1 1 37 37 ILE H H 37 8.260 8.260 8.060 0.200 19232 281 1 2 . 1 1 38 38 GLY N N 38 112.400 112.400 110.895 1.505 19232 282 1 2 . 1 1 38 38 GLY H H 38 8.670 8.670 8.815 -0.145 19232 283 1 2 . 1 1 39 39 GLY N N 39 108.300 108.300 107.565 0.735 19232 284 1 2 . 1 1 39 39 GLY H H 39 8.360 8.360 8.525 -0.165 19232 285 1 2 . 1 1 40 40 VAL N N 40 121.200 121.200 115.596 5.604 19232 286 1 2 . 1 1 40 40 VAL H H 40 7.380 7.380 7.252 0.128 19232 287 1 2 . 1 1 42 42 LEU N N 42 120.800 120.800 117.239 3.561 19232 288 1 2 . 1 1 42 42 LEU H H 42 8.225 8.225 7.515 0.710 19232 289 1 2 . 1 1 43 43 ASN N N 43 112.300 112.300 121.217 -8.917 19232 290 1 2 . 1 1 43 43 ASN H H 43 7.980 7.980 8.732 -0.752 19232 291 1 2 . 1 1 44 44 MET N N 44 122.000 122.000 114.517 7.483 19232 292 1 2 . 1 1 44 44 MET H H 44 7.470 7.470 7.764 -0.294 19232 293 1 2 . 1 1 45 45 LYS N N 45 124.100 124.100 120.706 3.394 19232 294 1 2 . 1 1 45 45 LYS H H 45 8.945 8.945 7.878 1.067 19232 295 1 2 . 1 1 46 46 GLU N N 46 122.400 122.400 124.181 -1.781 19232 296 1 2 . 1 1 46 46 GLU H H 46 9.985 9.985 8.791 1.194 19232 297 1 2 . 1 1 47 47 TRP N N 47 115.200 115.200 117.282 -2.082 19232 298 1 2 . 1 1 47 47 TRP H H 47 7.840 7.840 7.690 0.150 19232 299 1 2 . 1 1 48 48 ASP N N 48 118.900 118.900 119.137 -0.237 19232 300 1 2 . 1 1 48 48 ASP H H 48 6.700 6.700 7.597 -0.897 19232 301 1 2 . 1 1 49 49 LEU N N 49 120.300 120.300 121.168 -0.868 19232 302 1 2 . 1 1 49 49 LEU H H 49 7.555 7.555 7.633 -0.078 19232 303 1 2 . 1 1 50 50 ALA N N 50 118.800 118.800 121.318 -2.518 19232 304 1 2 . 1 1 50 50 ALA H H 50 7.705 7.705 7.462 0.243 19232 305 1 2 . 1 1 51 51 ASN N N 51 115.900 115.900 116.450 -0.550 19232 306 1 2 . 1 1 51 51 ASN H H 51 7.805 7.805 7.993 -0.188 19232 307 1 2 . 1 1 52 52 VAL N N 52 116.000 116.000 111.839 4.161 19232 308 1 2 . 1 1 52 52 VAL H H 52 7.855 7.855 7.366 0.489 19232 309 1 2 . 1 1 53 53 LEU N N 53 116.700 116.700 119.846 -3.146 19232 310 1 2 . 1 1 53 53 LEU H H 53 6.925 6.925 7.289 -0.364 19232 311 1 2 . 1 1 54 54 LYS N N 54 122.400 122.400 121.555 0.845 19232 312 1 2 . 1 1 54 54 LYS H H 54 7.120 7.120 8.365 -1.245 19232 313 1 2 . 1 1 56 56 PHE N N 56 113.000 113.000 115.165 -2.165 19232 314 1 2 . 1 1 56 56 PHE H H 56 8.285 8.285 8.245 0.040 19232 315 1 2 . 1 1 57 57 ALA N N 57 119.300 119.300 117.572 1.728 19232 316 1 2 . 1 1 57 57 ALA H H 57 8.155 8.155 7.237 0.918 19232 317 1 2 . 1 1 58 58 GLU N N 58 119.300 119.300 120.590 -1.290 19232 318 1 2 . 1 1 58 58 GLU H H 58 8.130 8.130 8.752 -0.622 19232 319 1 2 . 1 1 59 59 VAL N N 59 124.200 124.200 121.394 2.806 19232 320 1 2 . 1 1 59 59 VAL H H 59 7.800 7.800 7.917 -0.117 19232 321 1 2 . 1 1 60 60 GLN N N 60 130.300 130.300 126.905 3.395 19232 322 1 2 . 1 1 60 60 GLN H H 60 8.720 8.720 9.073 -0.353 19232 323 1 2 . 1 1 61 61 SER N N 61 111.000 111.000 113.709 -2.709 19232 324 1 2 . 1 1 61 61 SER H H 61 7.560 7.560 7.708 -0.148 19232 325 1 2 . 1 1 62 62 VAL N N 62 121.900 121.900 124.076 -2.176 19232 326 1 2 . 1 1 62 62 VAL H H 62 8.310 8.310 8.454 -0.144 19232 327 1 2 . 1 1 63 63 ILE N N 63 127.700 127.700 123.162 4.538 19232 328 1 2 . 1 1 63 63 ILE H H 63 8.735 8.735 7.987 0.748 19232 329 1 2 . 1 1 64 64 LEU N N 64 130.400 130.400 128.354 2.046 19232 330 1 2 . 1 1 64 64 LEU H H 64 9.160 9.160 9.044 0.116 19232 331 1 2 . 1 1 69 69 LYS N N 69 116.400 116.400 116.868 -0.468 19232 332 1 2 . 1 1 69 69 LYS H H 69 7.665 7.665 7.562 0.103 19232 333 1 2 . 1 1 70 70 HIS N N 70 113.800 113.800 117.212 -3.412 19232 334 1 2 . 1 1 70 70 HIS H H 70 7.510 7.510 7.369 0.141 19232 335 1 2 . 1 1 71 71 ALA N N 71 120.500 120.500 123.782 -3.282 19232 336 1 2 . 1 1 71 71 ALA H H 71 8.745 8.745 8.511 0.234 19232 337 1 2 . 1 1 72 72 PHE N N 72 118.100 118.100 120.974 -2.874 19232 338 1 2 . 1 1 72 72 PHE H H 72 8.685 8.685 8.291 0.394 19232 339 1 2 . 1 1 73 73 VAL N N 73 125.900 125.900 121.234 4.666 19232 340 1 2 . 1 1 73 73 VAL H H 73 9.425 9.425 8.734 0.691 19232 341 1 2 . 1 1 74 74 LYS N N 74 129.700 129.700 122.827 6.873 19232 342 1 2 . 1 1 74 74 LYS H H 74 8.725 8.725 7.898 0.827 19232 343 1 2 . 1 1 75 75 VAL N N 75 118.800 118.800 119.737 -0.937 19232 344 1 2 . 1 1 75 75 VAL H H 75 8.385 8.385 8.450 -0.065 19232 345 1 2 . 1 1 76 76 TYR N N 76 114.800 114.800 123.349 -8.549 19232 346 1 2 . 1 1 76 76 TYR H H 76 6.995 6.995 8.091 -1.096 19232 347 1 2 . 1 1 77 77 SER N N 77 107.200 107.200 112.518 -5.318 19232 348 1 2 . 1 1 77 77 SER H H 77 7.150 7.150 7.644 -0.494 19232 349 1 2 . 1 1 78 78 ARG N N 78 124.900 124.900 127.244 -2.344 19232 350 1 2 . 1 1 78 78 ARG H H 78 9.225 9.225 8.754 0.471 19232 351 1 2 . 1 1 79 79 HIS N N 79 119.900 119.900 116.651 3.249 19232 352 1 2 . 1 1 79 79 HIS H H 79 9.105 9.105 7.659 1.446 19232 353 1 2 . 1 1 80 80 GLU N N 80 118.200 118.200 118.440 -0.240 19232 354 1 2 . 1 1 80 80 GLU H H 80 7.690 7.690 7.747 -0.057 19232 355 1 2 . 1 1 81 81 ALA N N 81 123.500 123.500 123.051 0.449 19232 356 1 2 . 1 1 81 81 ALA H H 81 7.695 7.695 7.458 0.237 19232 357 1 2 . 1 1 82 82 GLU N N 82 116.400 116.400 117.508 -1.108 19232 358 1 2 . 1 1 82 82 GLU H H 82 8.450 8.450 7.687 0.763 19232 359 1 2 . 1 1 83 83 ASN N N 83 118.500 118.500 116.630 1.870 19232 360 1 2 . 1 1 83 83 ASN H H 83 7.835 7.835 7.703 0.132 19232 361 1 2 . 1 1 84 84 VAL N N 84 118.300 118.300 121.077 -2.777 19232 362 1 2 . 1 1 84 84 VAL H H 84 7.785 7.785 7.459 0.326 19232 363 1 2 . 1 1 85 85 LEU N N 85 119.400 119.400 118.282 1.118 19232 364 1 2 . 1 1 85 85 LEU H H 85 7.590 7.590 7.589 0.001 19232 365 1 2 . 1 1 86 86 GLN N N 86 113.600 113.600 118.338 -4.738 19232 366 1 2 . 1 1 86 86 GLN H H 86 7.985 7.985 7.576 0.409 19232 367 1 2 . 1 1 87 87 ASN N N 87 112.000 112.000 115.341 -3.341 19232 368 1 2 . 1 1 87 87 ASN H H 87 7.545 7.545 7.429 0.116 19232 369 1 2 . 1 1 88 88 PHE N N 88 121.900 121.900 118.828 3.072 19232 370 1 2 . 1 1 88 88 PHE H H 88 8.265 8.265 8.004 0.261 19232 371 1 2 . 1 1 89 89 ASN N N 89 126.900 126.900 116.655 10.245 19232 372 1 2 . 1 1 89 89 ASN H H 89 8.515 8.515 7.611 0.904 19232 373 1 2 . 1 1 90 90 LYS N N 90 119.900 119.900 118.971 0.929 19232 374 1 2 . 1 1 90 90 LYS H H 90 7.655 7.655 7.533 0.122 19232 375 1 2 . 1 1 91 91 ASP N N 91 115.600 115.600 119.166 -3.566 19232 376 1 2 . 1 1 91 91 ASP H H 91 8.050 8.050 7.843 0.207 19232 377 1 2 . 1 1 92 92 GLY N N 92 108.400 108.400 108.250 0.150 19232 378 1 2 . 1 1 92 92 GLY H H 92 7.425 7.425 8.242 -0.817 19232 379 1 2 . 1 1 93 93 ALA N N 93 122.000 122.000 120.504 1.496 19232 380 1 2 . 1 1 93 93 ALA H H 93 7.545 7.545 8.103 -0.558 19232 381 1 2 . 1 1 94 94 LEU N N 94 115.600 115.600 120.405 -4.805 19232 382 1 2 . 1 1 94 94 LEU H H 94 8.455 8.455 8.140 0.315 19232 383 1 2 . 1 1 96 96 LEU N N 96 115.700 115.700 121.403 -5.703 19232 384 1 2 . 1 1 96 96 LEU H H 96 5.775 5.775 7.635 -1.860 19232 385 1 2 . 1 1 97 97 ARG N N 97 123.300 123.300 127.889 -4.589 19232 386 1 2 . 1 1 97 97 ARG H H 97 8.290 8.290 8.288 0.002 19232 387 1 2 . 1 1 98 98 THR N N 98 120.000 120.000 120.155 -0.155 19232 388 1 2 . 1 1 98 98 THR H H 98 8.280 8.280 7.964 0.316 19232 389 1 2 . 1 1 99 99 ARG N N 99 122.300 122.300 125.084 -2.784 19232 390 1 2 . 1 1 99 99 ARG H H 99 9.005 9.005 8.899 0.106 19232 391 1 2 . 1 1 100 100 TRP N N 100 120.100 120.100 122.226 -2.126 19232 392 1 2 . 1 1 100 100 TRP H H 100 8.325 8.325 8.279 0.046 19232 393 1 2 . 1 1 101 101 GLY N N 101 107.300 107.300 107.345 -0.045 19232 394 1 2 . 1 1 101 101 GLY H H 101 8.940 8.940 8.848 0.092 19232 395 1 2 . 1 1 102 102 VAL N N 102 119.800 119.800 119.651 0.149 19232 396 1 2 . 1 1 102 102 VAL H H 102 8.130 8.130 8.454 -0.324 19232 397 1 2 . 1 1 103 103 GLY N N 103 117.200 117.200 113.262 3.938 19232 398 1 2 . 1 1 103 103 GLY H H 103 9.440 9.440 8.583 0.857 19232 399 1 2 . 1 1 104 104 PHE N N 104 120.600 120.600 123.089 -2.489 19232 400 1 2 . 1 1 104 104 PHE H H 104 7.280 7.280 8.356 -1.076 19232 401 1 2 . 1 1 105 105 GLY N N 105 117.100 117.100 111.387 5.713 19232 402 1 2 . 1 1 105 105 GLY H H 105 8.565 8.565 7.499 1.066 19232 403 1 2 . 1 1 109 109 CYS N N 109 115.300 115.300 120.354 -5.054 19232 404 1 2 . 1 1 109 109 CYS H H 109 6.915 6.915 7.774 -0.859 19232 405 1 2 . 1 1 110 110 CYS N N 110 119.000 119.000 120.387 -1.387 19232 406 1 2 . 1 1 110 110 CYS H H 110 7.130 7.130 7.739 -0.609 19232 407 1 2 . 1 1 111 111 ASP N N 111 128.800 128.800 119.374 9.426 19232 408 1 2 . 1 1 111 111 ASP H H 111 8.245 8.245 7.278 0.967 19232 409 1 2 . 1 1 112 112 TYR N N 112 124.400 124.400 122.189 2.211 19232 410 1 2 . 1 1 112 112 TYR H H 112 8.425 8.425 8.632 -0.207 19232 411 1 2 . 1 1 113 113 GLN N N 113 117.900 117.900 115.752 2.148 19232 412 1 2 . 1 1 113 113 GLN H H 113 8.065 8.065 8.590 -0.525 19232 413 1 2 . 1 1 114 114 HIS N N 114 114.200 114.200 116.438 -2.238 19232 414 1 2 . 1 1 114 114 HIS H H 114 6.925 6.925 7.807 -0.882 19232 415 1 2 . 1 1 115 115 GLY N N 115 109.200 109.200 107.965 1.235 19232 416 1 2 . 1 1 115 115 GLY H H 115 8.430 8.430 7.530 0.900 19232 417 1 2 . 1 1 116 116 TYR N N 116 115.800 115.800 115.096 0.704 19232 418 1 2 . 1 1 116 116 TYR H H 116 6.695 6.695 7.257 -0.562 19232 419 1 2 . 1 1 117 117 SER N N 117 116.200 116.200 115.643 0.557 19232 420 1 2 . 1 1 117 117 SER H H 117 8.745 8.745 7.905 0.840 19232 421 1 2 . 1 1 118 118 ILE N N 118 126.500 126.500 121.175 5.325 19232 422 1 2 . 1 1 118 118 ILE H H 118 7.560 7.560 7.739 -0.179 19232 423 1 2 . 1 1 121 121 MET N N 121 124.000 124.000 117.584 6.416 19232 424 1 2 . 1 1 121 121 MET H H 121 8.885 8.885 7.978 0.907 19232 425 1 2 . 1 1 122 122 HIS N N 122 113.700 113.700 117.443 -3.743 19232 426 1 2 . 1 1 122 122 HIS H H 122 7.855 7.855 7.931 -0.076 19232 427 1 2 . 1 1 123 123 ARG N N 123 117.500 117.500 119.537 -2.037 19232 428 1 2 . 1 1 123 123 ARG H H 123 7.320 7.320 7.731 -0.411 19232 429 1 2 . 1 1 124 124 LEU N N 124 119.300 119.300 119.628 -0.328 19232 430 1 2 . 1 1 124 124 LEU H H 124 7.120 7.120 7.835 -0.715 19232 431 1 2 . 1 1 125 125 THR N N 125 116.000 116.000 110.488 5.512 19232 432 1 2 . 1 1 125 125 THR H H 125 9.485 9.485 8.105 1.380 19232 433 1 2 . 1 1 126 126 ASP N N 126 121.700 121.700 123.468 -1.768 19232 434 1 2 . 1 1 126 126 ASP H H 126 8.750 8.750 7.774 0.976 19232 435 1 2 . 1 1 127 127 ALA N N 127 123.300 123.300 120.161 3.139 19232 436 1 2 . 1 1 127 127 ALA H H 127 8.105 8.105 7.580 0.525 19232 437 1 2 . 1 1 128 128 ASP N N 128 118.700 118.700 118.320 0.380 19232 438 1 2 . 1 1 128 128 ASP H H 128 7.675 7.675 7.881 -0.206 19232 439 1 2 . 1 1 129 129 LYS N N 129 120.100 120.100 119.379 0.721 19232 440 1 2 . 1 1 129 129 LYS H H 129 7.985 7.985 7.575 0.410 19232 441 1 2 . 1 1 130 130 LYS N N 130 121.500 121.500 118.886 2.614 19232 442 1 2 . 1 1 130 130 LYS H H 130 7.705 7.705 7.429 0.276 19232 443 1 2 . 1 1 131 131 TRP N N 131 122.200 122.200 119.072 3.128 19232 444 1 2 . 1 1 131 131 TRP H H 131 8.905 8.905 7.418 1.487 19232 445 1 2 . 1 1 132 132 SER N N 132 111.800 111.800 112.453 -0.653 19232 446 1 2 . 1 1 132 132 SER H H 132 7.880 7.880 7.759 0.121 19232 447 1 2 . 1 1 133 133 VAL N N 133 110.900 110.900 118.623 -7.723 19232 448 1 2 . 1 1 133 133 VAL H H 133 6.685 6.685 7.278 -0.593 19232 449 1 2 . 1 1 134 134 SER N N 134 112.900 112.900 116.567 -3.667 19232 450 1 2 . 1 1 134 134 SER H H 134 7.495 7.495 7.499 -0.004 19232 451 1 2 . 1 1 135 135 ALA N N 135 125.800 125.800 122.409 3.391 19232 452 1 2 . 1 1 135 135 ALA H H 135 7.735 7.735 7.826 -0.091 19232 453 1 2 . 1 1 136 136 GLN N N 136 118.500 118.500 118.588 -0.088 19232 454 1 2 . 1 1 136 136 GLN H H 136 8.825 8.825 8.167 0.658 19232 455 1 2 . 1 1 137 137 TRP N N 137 120.200 120.200 120.114 0.086 19232 456 1 2 . 1 1 137 137 TRP H H 137 8.385 8.385 7.860 0.525 19232 457 1 2 . 1 1 138 138 GLY N N 138 107.300 107.300 105.812 1.488 19232 458 1 2 . 1 1 138 138 GLY H H 138 8.400 8.400 7.758 0.642 19232 459 1 2 . 1 1 139 139 GLY N N 139 101.600 101.600 106.259 -4.659 19232 460 1 2 . 1 1 139 139 GLY H H 139 8.400 8.400 8.102 0.298 19232 461 1 2 . 1 1 140 140 THR N N 140 107.900 107.900 109.758 -1.858 19232 462 1 2 . 1 1 140 140 THR H H 140 8.495 8.495 8.702 -0.207 19232 463 1 2 . 1 1 141 141 SER N N 141 120.200 120.200 112.253 7.947 19232 464 1 2 . 1 1 141 141 SER H H 141 9.350 9.350 8.052 1.298 19232 465 1 2 . 1 1 142 142 GLY N N 142 105.800 105.800 107.991 -2.191 19232 466 1 2 . 1 1 142 142 GLY H H 142 7.880 7.880 8.223 -0.343 19232 467 1 2 . 1 1 143 143 GLN N N 143 123.100 123.100 117.180 5.920 19232 468 1 2 . 1 1 143 143 GLN H H 143 7.350 7.350 7.816 -0.466 19232 469 1 2 . 1 1 145 145 LEU N N 145 118.500 118.500 115.579 2.921 19232 470 1 2 . 1 1 145 145 LEU H H 145 8.130 8.130 7.746 0.384 19232 471 1 2 . 1 1 146 146 VAL N N 146 116.600 116.600 112.802 3.798 19232 472 1 2 . 1 1 146 146 VAL H H 146 6.550 6.550 7.323 -0.773 19232 473 1 2 . 1 1 147 147 THR N N 147 117.400 117.400 109.497 7.903 19232 474 1 2 . 1 1 147 147 THR H H 147 8.355 8.355 7.477 0.878 19232 475 1 2 . 1 1 148 148 GLY N N 148 113.700 113.700 109.887 3.813 19232 476 1 2 . 1 1 148 148 GLY H H 148 8.970 8.970 7.516 1.454 19232 477 1 2 . 1 1 149 149 ILE N N 149 121.700 121.700 121.917 -0.217 19232 478 1 2 . 1 1 149 149 ILE H H 149 7.865 7.865 7.615 0.250 19232 479 1 2 . 1 1 150 150 VAL N N 150 125.800 125.800 113.821 11.979 19232 480 1 2 . 1 1 150 150 VAL H H 150 8.120 8.120 8.204 -0.084 19232 481 1 2 . 1 1 151 151 PHE N N 151 118.300 118.300 118.594 -0.294 19232 482 1 2 . 1 1 151 151 PHE H H 151 7.965 7.965 7.668 0.297 19232 483 1 2 . 1 1 152 152 GLU N N 152 118.100 118.100 122.510 -4.410 19232 484 1 2 . 1 1 152 152 GLU H H 152 9.530 9.530 7.412 2.118 19232 485 1 2 . 1 1 158 158 VAL N N 158 126.000 126.000 122.091 3.909 19232 486 1 2 . 1 1 158 158 VAL H H 158 8.200 8.200 8.524 -0.324 19232 487 1 2 . 1 1 159 159 GLY N N 159 113.000 113.000 114.200 -1.200 19232 488 1 2 . 1 1 159 159 GLY H H 159 8.440 8.440 8.632 -0.192 19232 489 1 2 . 1 1 160 160 GLU N N 160 120.700 120.700 120.703 -0.003 19232 490 1 2 . 1 1 160 160 GLU H H 160 8.270 8.270 8.182 0.088 19232 491 1 2 . 1 1 162 162 VAL N N 162 120.000 120.000 120.558 -0.558 19232 492 1 2 . 1 1 162 162 VAL H H 162 7.960 7.960 7.727 0.233 19232 493 1 3 . 1 1 18 18 SER N N 18 122.200 122.200 123.586 -1.386 19232 494 1 3 . 1 1 18 18 SER H H 18 8.786 8.786 8.056 0.730 19232 495 1 3 . 1 1 19 19 TYR N N 19 115.700 115.700 118.969 -3.269 19232 496 1 3 . 1 1 19 19 TYR H H 19 8.135 8.135 8.415 -0.280 19232 497 1 3 . 1 1 20 20 ASP N N 20 126.400 126.400 125.256 1.144 19232 498 1 3 . 1 1 20 20 ASP H H 20 9.595 9.595 8.706 0.889 19232 499 1 3 . 1 1 22 22 THR N N 22 113.200 113.200 112.716 0.484 19232 500 1 3 . 1 1 22 22 THR H H 22 8.875 8.875 7.922 0.953 19232 501 1 3 . 1 1 23 23 LEU N N 23 122.800 122.800 124.924 -2.124 19232 502 1 3 . 1 1 23 23 LEU H H 23 6.765 6.765 7.663 -0.898 19232 503 1 3 . 1 1 26 26 ASP N N 26 123.500 123.500 120.038 3.462 19232 504 1 3 . 1 1 26 26 ASP H H 26 9.395 9.395 7.994 1.401 19232 505 1 3 . 1 1 27 27 HIS N N 27 116.900 116.900 116.932 -0.032 19232 506 1 3 . 1 1 27 27 HIS H H 27 7.965 7.965 8.430 -0.465 19232 507 1 3 . 1 1 28 28 ILE N N 28 113.200 113.200 121.656 -8.456 19232 508 1 3 . 1 1 28 28 ILE H H 28 8.115 8.115 8.630 -0.515 19232 509 1 3 . 1 1 29 29 LYS N N 29 123.200 123.200 129.767 -6.567 19232 510 1 3 . 1 1 29 29 LYS H H 29 8.610 8.610 8.854 -0.244 19232 511 1 3 . 1 1 30 30 VAL N N 30 122.300 122.300 117.344 4.956 19232 512 1 3 . 1 1 30 30 VAL H H 30 8.130 8.130 7.681 0.449 19232 513 1 3 . 1 1 31 31 TYR N N 31 124.000 124.000 121.162 2.838 19232 514 1 3 . 1 1 31 31 TYR H H 31 8.520 8.520 7.640 0.880 19232 515 1 3 . 1 1 32 32 SER N N 32 117.600 117.600 118.604 -1.004 19232 516 1 3 . 1 1 32 32 SER H H 32 7.295 7.295 8.474 -1.179 19232 517 1 3 . 1 1 33 33 ARG N N 33 125.000 125.000 126.848 -1.848 19232 518 1 3 . 1 1 33 33 ARG H H 33 9.485 9.485 8.163 1.322 19232 519 1 3 . 1 1 34 34 THR N N 34 119.400 119.400 117.494 1.906 19232 520 1 3 . 1 1 34 34 THR H H 34 9.235 9.235 7.680 1.555 19232 521 1 3 . 1 1 35 35 LEU N N 35 126.200 126.200 129.497 -3.297 19232 522 1 3 . 1 1 35 35 LEU H H 35 9.510 9.510 8.129 1.381 19232 523 1 3 . 1 1 36 36 PHE N N 36 124.000 124.000 128.724 -4.724 19232 524 1 3 . 1 1 36 36 PHE H H 36 8.820 8.820 9.462 -0.642 19232 525 1 3 . 1 1 37 37 ILE N N 37 127.200 127.200 124.893 2.307 19232 526 1 3 . 1 1 37 37 ILE H H 37 8.260 8.260 7.672 0.588 19232 527 1 3 . 1 1 38 38 GLY N N 38 112.400 112.400 109.389 3.011 19232 528 1 3 . 1 1 38 38 GLY H H 38 8.670 8.670 8.502 0.168 19232 529 1 3 . 1 1 39 39 GLY N N 39 108.300 108.300 108.036 0.264 19232 530 1 3 . 1 1 39 39 GLY H H 39 8.360 8.360 8.069 0.291 19232 531 1 3 . 1 1 40 40 VAL N N 40 121.200 121.200 115.328 5.872 19232 532 1 3 . 1 1 40 40 VAL H H 40 7.380 7.380 7.499 -0.119 19232 533 1 3 . 1 1 42 42 LEU N N 42 120.800 120.800 120.839 -0.039 19232 534 1 3 . 1 1 42 42 LEU H H 42 8.225 8.225 7.506 0.719 19232 535 1 3 . 1 1 43 43 ASN N N 43 112.300 112.300 121.341 -9.041 19232 536 1 3 . 1 1 43 43 ASN H H 43 7.980 7.980 8.870 -0.890 19232 537 1 3 . 1 1 44 44 MET N N 44 122.000 122.000 117.428 4.572 19232 538 1 3 . 1 1 44 44 MET H H 44 7.470 7.470 7.749 -0.279 19232 539 1 3 . 1 1 45 45 LYS N N 45 124.100 124.100 119.434 4.666 19232 540 1 3 . 1 1 45 45 LYS H H 45 8.945 8.945 7.874 1.071 19232 541 1 3 . 1 1 46 46 GLU N N 46 122.400 122.400 124.310 -1.910 19232 542 1 3 . 1 1 46 46 GLU H H 46 9.985 9.985 8.852 1.133 19232 543 1 3 . 1 1 47 47 TRP N N 47 115.200 115.200 118.714 -3.514 19232 544 1 3 . 1 1 47 47 TRP H H 47 7.840 7.840 7.797 0.043 19232 545 1 3 . 1 1 48 48 ASP N N 48 118.900 118.900 119.301 -0.401 19232 546 1 3 . 1 1 48 48 ASP H H 48 6.700 6.700 7.676 -0.976 19232 547 1 3 . 1 1 49 49 LEU N N 49 120.300 120.300 119.930 0.370 19232 548 1 3 . 1 1 49 49 LEU H H 49 7.555 7.555 7.570 -0.015 19232 549 1 3 . 1 1 50 50 ALA N N 50 118.800 118.800 121.780 -2.980 19232 550 1 3 . 1 1 50 50 ALA H H 50 7.705 7.705 7.695 0.010 19232 551 1 3 . 1 1 51 51 ASN N N 51 115.900 115.900 115.589 0.311 19232 552 1 3 . 1 1 51 51 ASN H H 51 7.805 7.805 7.794 0.011 19232 553 1 3 . 1 1 52 52 VAL N N 52 116.000 116.000 113.068 2.932 19232 554 1 3 . 1 1 52 52 VAL H H 52 7.855 7.855 7.338 0.517 19232 555 1 3 . 1 1 53 53 LEU N N 53 116.700 116.700 119.665 -2.965 19232 556 1 3 . 1 1 53 53 LEU H H 53 6.925 6.925 7.557 -0.632 19232 557 1 3 . 1 1 54 54 LYS N N 54 122.400 122.400 119.188 3.212 19232 558 1 3 . 1 1 54 54 LYS H H 54 7.120 7.120 7.651 -0.531 19232 559 1 3 . 1 1 56 56 PHE N N 56 113.000 113.000 116.673 -3.673 19232 560 1 3 . 1 1 56 56 PHE H H 56 8.285 8.285 8.132 0.153 19232 561 1 3 . 1 1 57 57 ALA N N 57 119.300 119.300 117.676 1.624 19232 562 1 3 . 1 1 57 57 ALA H H 57 8.155 8.155 7.216 0.939 19232 563 1 3 . 1 1 58 58 GLU N N 58 119.300 119.300 120.944 -1.644 19232 564 1 3 . 1 1 58 58 GLU H H 58 8.130 8.130 8.716 -0.586 19232 565 1 3 . 1 1 59 59 VAL N N 59 124.200 124.200 121.347 2.853 19232 566 1 3 . 1 1 59 59 VAL H H 59 7.800 7.800 8.326 -0.526 19232 567 1 3 . 1 1 60 60 GLN N N 60 130.300 130.300 126.234 4.066 19232 568 1 3 . 1 1 60 60 GLN H H 60 8.720 8.720 8.893 -0.173 19232 569 1 3 . 1 1 61 61 SER N N 61 111.000 111.000 115.333 -4.333 19232 570 1 3 . 1 1 61 61 SER H H 61 7.560 7.560 7.733 -0.173 19232 571 1 3 . 1 1 62 62 VAL N N 62 121.900 121.900 123.223 -1.323 19232 572 1 3 . 1 1 62 62 VAL H H 62 8.310 8.310 8.369 -0.059 19232 573 1 3 . 1 1 63 63 ILE N N 63 127.700 127.700 127.189 0.511 19232 574 1 3 . 1 1 63 63 ILE H H 63 8.735 8.735 8.970 -0.235 19232 575 1 3 . 1 1 64 64 LEU N N 64 130.400 130.400 126.151 4.249 19232 576 1 3 . 1 1 64 64 LEU H H 64 9.160 9.160 8.444 0.716 19232 577 1 3 . 1 1 69 69 LYS N N 69 116.400 116.400 111.877 4.523 19232 578 1 3 . 1 1 69 69 LYS H H 69 7.665 7.665 8.148 -0.483 19232 579 1 3 . 1 1 70 70 HIS N N 70 113.800 113.800 116.974 -3.174 19232 580 1 3 . 1 1 70 70 HIS H H 70 7.510 7.510 7.460 0.050 19232 581 1 3 . 1 1 71 71 ALA N N 71 120.500 120.500 124.948 -4.448 19232 582 1 3 . 1 1 71 71 ALA H H 71 8.745 8.745 8.304 0.441 19232 583 1 3 . 1 1 72 72 PHE N N 72 118.100 118.100 118.374 -0.274 19232 584 1 3 . 1 1 72 72 PHE H H 72 8.685 8.685 8.853 -0.168 19232 585 1 3 . 1 1 73 73 VAL N N 73 125.900 125.900 115.299 10.601 19232 586 1 3 . 1 1 73 73 VAL H H 73 9.425 9.425 8.908 0.517 19232 587 1 3 . 1 1 74 74 LYS N N 74 129.700 129.700 122.045 7.655 19232 588 1 3 . 1 1 74 74 LYS H H 74 8.725 8.725 7.983 0.742 19232 589 1 3 . 1 1 75 75 VAL N N 75 118.800 118.800 120.260 -1.460 19232 590 1 3 . 1 1 75 75 VAL H H 75 8.385 8.385 8.426 -0.041 19232 591 1 3 . 1 1 76 76 TYR N N 76 114.800 114.800 116.803 -2.003 19232 592 1 3 . 1 1 76 76 TYR H H 76 6.995 6.995 8.275 -1.280 19232 593 1 3 . 1 1 77 77 SER N N 77 107.200 107.200 116.482 -9.282 19232 594 1 3 . 1 1 77 77 SER H H 77 7.150 7.150 7.479 -0.329 19232 595 1 3 . 1 1 78 78 ARG N N 78 124.900 124.900 125.926 -1.026 19232 596 1 3 . 1 1 78 78 ARG H H 78 9.225 9.225 8.532 0.693 19232 597 1 3 . 1 1 79 79 HIS N N 79 119.900 119.900 115.460 4.440 19232 598 1 3 . 1 1 79 79 HIS H H 79 9.105 9.105 8.233 0.872 19232 599 1 3 . 1 1 80 80 GLU N N 80 118.200 118.200 117.912 0.288 19232 600 1 3 . 1 1 80 80 GLU H H 80 7.690 7.690 7.621 0.069 19232 601 1 3 . 1 1 81 81 ALA N N 81 123.500 123.500 123.965 -0.465 19232 602 1 3 . 1 1 81 81 ALA H H 81 7.695 7.695 7.777 -0.082 19232 603 1 3 . 1 1 82 82 GLU N N 82 116.400 116.400 117.139 -0.739 19232 604 1 3 . 1 1 82 82 GLU H H 82 8.450 8.450 7.902 0.548 19232 605 1 3 . 1 1 83 83 ASN N N 83 118.500 118.500 116.969 1.531 19232 606 1 3 . 1 1 83 83 ASN H H 83 7.835 7.835 7.548 0.287 19232 607 1 3 . 1 1 84 84 VAL N N 84 118.300 118.300 120.177 -1.877 19232 608 1 3 . 1 1 84 84 VAL H H 84 7.785 7.785 7.035 0.750 19232 609 1 3 . 1 1 85 85 LEU N N 85 119.400 119.400 117.949 1.451 19232 610 1 3 . 1 1 85 85 LEU H H 85 7.590 7.590 7.092 0.498 19232 611 1 3 . 1 1 86 86 GLN N N 86 113.600 113.600 116.252 -2.652 19232 612 1 3 . 1 1 86 86 GLN H H 86 7.985 7.985 7.412 0.573 19232 613 1 3 . 1 1 87 87 ASN N N 87 112.000 112.000 117.954 -5.954 19232 614 1 3 . 1 1 87 87 ASN H H 87 7.545 7.545 7.516 0.029 19232 615 1 3 . 1 1 88 88 PHE N N 88 121.900 121.900 117.506 4.394 19232 616 1 3 . 1 1 88 88 PHE H H 88 8.265 8.265 7.914 0.351 19232 617 1 3 . 1 1 89 89 ASN N N 89 126.900 126.900 117.261 9.639 19232 618 1 3 . 1 1 89 89 ASN H H 89 8.515 8.515 7.800 0.715 19232 619 1 3 . 1 1 90 90 LYS N N 90 119.900 119.900 117.902 1.998 19232 620 1 3 . 1 1 90 90 LYS H H 90 7.655 7.655 7.477 0.178 19232 621 1 3 . 1 1 91 91 ASP N N 91 115.600 115.600 120.484 -4.884 19232 622 1 3 . 1 1 91 91 ASP H H 91 8.050 8.050 7.839 0.211 19232 623 1 3 . 1 1 92 92 GLY N N 92 108.400 108.400 108.188 0.212 19232 624 1 3 . 1 1 92 92 GLY H H 92 7.425 7.425 8.083 -0.658 19232 625 1 3 . 1 1 93 93 ALA N N 93 122.000 122.000 119.868 2.132 19232 626 1 3 . 1 1 93 93 ALA H H 93 7.545 7.545 8.066 -0.521 19232 627 1 3 . 1 1 94 94 LEU N N 94 115.600 115.600 122.962 -7.362 19232 628 1 3 . 1 1 94 94 LEU H H 94 8.455 8.455 8.159 0.296 19232 629 1 3 . 1 1 96 96 LEU N N 96 115.700 115.700 121.295 -5.595 19232 630 1 3 . 1 1 96 96 LEU H H 96 5.775 5.775 7.456 -1.681 19232 631 1 3 . 1 1 97 97 ARG N N 97 123.300 123.300 126.937 -3.637 19232 632 1 3 . 1 1 97 97 ARG H H 97 8.290 8.290 8.418 -0.128 19232 633 1 3 . 1 1 98 98 THR N N 98 120.000 120.000 114.877 5.123 19232 634 1 3 . 1 1 98 98 THR H H 98 8.280 8.280 8.308 -0.028 19232 635 1 3 . 1 1 99 99 ARG N N 99 122.300 122.300 124.325 -2.025 19232 636 1 3 . 1 1 99 99 ARG H H 99 9.005 9.005 9.031 -0.026 19232 637 1 3 . 1 1 100 100 TRP N N 100 120.100 120.100 123.807 -3.707 19232 638 1 3 . 1 1 100 100 TRP H H 100 8.325 8.325 8.649 -0.324 19232 639 1 3 . 1 1 101 101 GLY N N 101 107.300 107.300 107.398 -0.098 19232 640 1 3 . 1 1 101 101 GLY H H 101 8.940 8.940 8.289 0.651 19232 641 1 3 . 1 1 102 102 VAL N N 102 119.800 119.800 119.017 0.783 19232 642 1 3 . 1 1 102 102 VAL H H 102 8.130 8.130 8.198 -0.068 19232 643 1 3 . 1 1 103 103 GLY N N 103 117.200 117.200 115.915 1.285 19232 644 1 3 . 1 1 103 103 GLY H H 103 9.440 9.440 7.986 1.454 19232 645 1 3 . 1 1 104 104 PHE N N 104 120.600 120.600 120.245 0.355 19232 646 1 3 . 1 1 104 104 PHE H H 104 7.280 7.280 7.553 -0.273 19232 647 1 3 . 1 1 105 105 GLY N N 105 117.100 117.100 110.028 7.072 19232 648 1 3 . 1 1 105 105 GLY H H 105 8.565 8.565 8.391 0.174 19232 649 1 3 . 1 1 109 109 CYS N N 109 115.300 115.300 115.530 -0.230 19232 650 1 3 . 1 1 109 109 CYS H H 109 6.915 6.915 7.687 -0.772 19232 651 1 3 . 1 1 110 110 CYS N N 110 119.000 119.000 121.915 -2.915 19232 652 1 3 . 1 1 110 110 CYS H H 110 7.130 7.130 7.875 -0.745 19232 653 1 3 . 1 1 111 111 ASP N N 111 128.800 128.800 121.921 6.879 19232 654 1 3 . 1 1 111 111 ASP H H 111 8.245 8.245 8.488 -0.243 19232 655 1 3 . 1 1 112 112 TYR N N 112 124.400 124.400 122.572 1.828 19232 656 1 3 . 1 1 112 112 TYR H H 112 8.425 8.425 8.889 -0.464 19232 657 1 3 . 1 1 113 113 GLN N N 113 117.900 117.900 117.505 0.395 19232 658 1 3 . 1 1 113 113 GLN H H 113 8.065 8.065 8.225 -0.160 19232 659 1 3 . 1 1 114 114 HIS N N 114 114.200 114.200 114.140 0.060 19232 660 1 3 . 1 1 114 114 HIS H H 114 6.925 6.925 7.950 -1.025 19232 661 1 3 . 1 1 115 115 GLY N N 115 109.200 109.200 108.638 0.562 19232 662 1 3 . 1 1 115 115 GLY H H 115 8.430 8.430 7.713 0.717 19232 663 1 3 . 1 1 116 116 TYR N N 116 115.800 115.800 122.545 -6.745 19232 664 1 3 . 1 1 116 116 TYR H H 116 6.695 6.695 7.085 -0.390 19232 665 1 3 . 1 1 117 117 SER N N 117 116.200 116.200 121.407 -5.207 19232 666 1 3 . 1 1 117 117 SER H H 117 8.745 8.745 8.051 0.694 19232 667 1 3 . 1 1 118 118 ILE N N 118 126.500 126.500 123.770 2.730 19232 668 1 3 . 1 1 118 118 ILE H H 118 7.560 7.560 8.104 -0.544 19232 669 1 3 . 1 1 121 121 MET N N 121 124.000 124.000 114.813 9.187 19232 670 1 3 . 1 1 121 121 MET H H 121 8.885 8.885 8.348 0.537 19232 671 1 3 . 1 1 122 122 HIS N N 122 113.700 113.700 118.539 -4.839 19232 672 1 3 . 1 1 122 122 HIS H H 122 7.855 7.855 8.121 -0.266 19232 673 1 3 . 1 1 123 123 ARG N N 123 117.500 117.500 120.589 -3.089 19232 674 1 3 . 1 1 123 123 ARG H H 123 7.320 7.320 7.921 -0.601 19232 675 1 3 . 1 1 124 124 LEU N N 124 119.300 119.300 119.145 0.155 19232 676 1 3 . 1 1 124 124 LEU H H 124 7.120 7.120 7.449 -0.329 19232 677 1 3 . 1 1 125 125 THR N N 125 116.000 116.000 114.540 1.460 19232 678 1 3 . 1 1 125 125 THR H H 125 9.485 9.485 8.091 1.394 19232 679 1 3 . 1 1 126 126 ASP N N 126 121.700 121.700 121.384 0.316 19232 680 1 3 . 1 1 126 126 ASP H H 126 8.750 8.750 7.615 1.135 19232 681 1 3 . 1 1 127 127 ALA N N 127 123.300 123.300 119.470 3.830 19232 682 1 3 . 1 1 127 127 ALA H H 127 8.105 8.105 7.442 0.663 19232 683 1 3 . 1 1 128 128 ASP N N 128 118.700 118.700 116.959 1.741 19232 684 1 3 . 1 1 128 128 ASP H H 128 7.675 7.675 7.762 -0.087 19232 685 1 3 . 1 1 129 129 LYS N N 129 120.100 120.100 120.098 0.002 19232 686 1 3 . 1 1 129 129 LYS H H 129 7.985 7.985 7.490 0.495 19232 687 1 3 . 1 1 130 130 LYS N N 130 121.500 121.500 118.383 3.117 19232 688 1 3 . 1 1 130 130 LYS H H 130 7.705 7.705 7.264 0.441 19232 689 1 3 . 1 1 131 131 TRP N N 131 122.200 122.200 118.712 3.488 19232 690 1 3 . 1 1 131 131 TRP H H 131 8.905 8.905 7.327 1.578 19232 691 1 3 . 1 1 132 132 SER N N 132 111.800 111.800 113.717 -1.917 19232 692 1 3 . 1 1 132 132 SER H H 132 7.880 7.880 7.944 -0.064 19232 693 1 3 . 1 1 133 133 VAL N N 133 110.900 110.900 118.206 -7.306 19232 694 1 3 . 1 1 133 133 VAL H H 133 6.685 6.685 7.350 -0.665 19232 695 1 3 . 1 1 134 134 SER N N 134 112.900 112.900 116.228 -3.328 19232 696 1 3 . 1 1 134 134 SER H H 134 7.495 7.495 7.691 -0.196 19232 697 1 3 . 1 1 135 135 ALA N N 135 125.800 125.800 122.259 3.541 19232 698 1 3 . 1 1 135 135 ALA H H 135 7.735 7.735 7.889 -0.154 19232 699 1 3 . 1 1 136 136 GLN N N 136 118.500 118.500 119.511 -1.011 19232 700 1 3 . 1 1 136 136 GLN H H 136 8.825 8.825 8.154 0.671 19232 701 1 3 . 1 1 137 137 TRP N N 137 120.200 120.200 123.199 -2.999 19232 702 1 3 . 1 1 137 137 TRP H H 137 8.385 8.385 8.765 -0.380 19232 703 1 3 . 1 1 138 138 GLY N N 138 107.300 107.300 107.195 0.105 19232 704 1 3 . 1 1 138 138 GLY H H 138 8.400 8.400 7.981 0.419 19232 705 1 3 . 1 1 139 139 GLY N N 139 101.600 101.600 106.412 -4.812 19232 706 1 3 . 1 1 139 139 GLY H H 139 8.400 8.400 7.200 1.200 19232 707 1 3 . 1 1 140 140 THR N N 140 107.900 107.900 112.163 -4.263 19232 708 1 3 . 1 1 140 140 THR H H 140 8.495 8.495 7.924 0.571 19232 709 1 3 . 1 1 141 141 SER N N 141 120.200 120.200 114.110 6.090 19232 710 1 3 . 1 1 141 141 SER H H 141 9.350 9.350 7.733 1.617 19232 711 1 3 . 1 1 142 142 GLY N N 142 105.800 105.800 108.657 -2.857 19232 712 1 3 . 1 1 142 142 GLY H H 142 7.880 7.880 8.146 -0.266 19232 713 1 3 . 1 1 143 143 GLN N N 143 123.100 123.100 117.410 5.690 19232 714 1 3 . 1 1 143 143 GLN H H 143 7.350 7.350 7.871 -0.521 19232 715 1 3 . 1 1 145 145 LEU N N 145 118.500 118.500 116.135 2.365 19232 716 1 3 . 1 1 145 145 LEU H H 145 8.130 8.130 7.771 0.359 19232 717 1 3 . 1 1 146 146 VAL N N 146 116.600 116.600 112.433 4.167 19232 718 1 3 . 1 1 146 146 VAL H H 146 6.550 6.550 7.328 -0.778 19232 719 1 3 . 1 1 147 147 THR N N 147 117.400 117.400 114.397 3.003 19232 720 1 3 . 1 1 147 147 THR H H 147 8.355 8.355 7.758 0.597 19232 721 1 3 . 1 1 148 148 GLY N N 148 113.700 113.700 108.506 5.194 19232 722 1 3 . 1 1 148 148 GLY H H 148 8.970 8.970 7.607 1.363 19232 723 1 3 . 1 1 149 149 ILE N N 149 121.700 121.700 125.129 -3.429 19232 724 1 3 . 1 1 149 149 ILE H H 149 7.865 7.865 7.732 0.133 19232 725 1 3 . 1 1 150 150 VAL N N 150 125.800 125.800 114.243 11.557 19232 726 1 3 . 1 1 150 150 VAL H H 150 8.120 8.120 7.471 0.649 19232 727 1 3 . 1 1 151 151 PHE N N 151 118.300 118.300 120.348 -2.048 19232 728 1 3 . 1 1 151 151 PHE H H 151 7.965 7.965 7.740 0.225 19232 729 1 3 . 1 1 152 152 GLU N N 152 118.100 118.100 119.665 -1.565 19232 730 1 3 . 1 1 152 152 GLU H H 152 9.530 9.530 8.392 1.138 19232 731 1 3 . 1 1 158 158 VAL N N 158 126.000 126.000 113.380 12.620 19232 732 1 3 . 1 1 158 158 VAL H H 158 8.200 8.200 7.562 0.638 19232 733 1 3 . 1 1 159 159 GLY N N 159 113.000 113.000 111.031 1.969 19232 734 1 3 . 1 1 159 159 GLY H H 159 8.440 8.440 7.611 0.829 19232 735 1 3 . 1 1 160 160 GLU N N 160 120.700 120.700 120.075 0.625 19232 736 1 3 . 1 1 160 160 GLU H H 160 8.270 8.270 8.358 -0.088 19232 737 1 3 . 1 1 162 162 VAL N N 162 120.000 120.000 117.221 2.779 19232 738 1 3 . 1 1 162 162 VAL H H 162 7.960 7.960 8.565 -0.605 19232 739 1 4 . 1 1 18 18 SER N N 18 122.200 122.200 123.651 -1.451 19232 740 1 4 . 1 1 18 18 SER H H 18 8.786 8.786 8.715 0.071 19232 741 1 4 . 1 1 19 19 TYR N N 19 115.700 115.700 122.867 -7.167 19232 742 1 4 . 1 1 19 19 TYR H H 19 8.135 8.135 8.648 -0.513 19232 743 1 4 . 1 1 20 20 ASP N N 20 126.400 126.400 123.739 2.661 19232 744 1 4 . 1 1 20 20 ASP H H 20 9.595 9.595 8.039 1.556 19232 745 1 4 . 1 1 22 22 THR N N 22 113.200 113.200 114.649 -1.449 19232 746 1 4 . 1 1 22 22 THR H H 22 8.875 8.875 8.304 0.571 19232 747 1 4 . 1 1 23 23 LEU N N 23 122.800 122.800 124.498 -1.698 19232 748 1 4 . 1 1 23 23 LEU H H 23 6.765 6.765 7.810 -1.045 19232 749 1 4 . 1 1 26 26 ASP N N 26 123.500 123.500 121.147 2.353 19232 750 1 4 . 1 1 26 26 ASP H H 26 9.395 9.395 8.246 1.149 19232 751 1 4 . 1 1 27 27 HIS N N 27 116.900 116.900 121.165 -4.265 19232 752 1 4 . 1 1 27 27 HIS H H 27 7.965 7.965 8.603 -0.638 19232 753 1 4 . 1 1 28 28 ILE N N 28 113.200 113.200 122.180 -8.980 19232 754 1 4 . 1 1 28 28 ILE H H 28 8.115 8.115 7.974 0.141 19232 755 1 4 . 1 1 29 29 LYS N N 29 123.200 123.200 125.866 -2.666 19232 756 1 4 . 1 1 29 29 LYS H H 29 8.610 8.610 8.626 -0.016 19232 757 1 4 . 1 1 30 30 VAL N N 30 122.300 122.300 117.519 4.781 19232 758 1 4 . 1 1 30 30 VAL H H 30 8.130 8.130 7.932 0.198 19232 759 1 4 . 1 1 31 31 TYR N N 31 124.000 124.000 118.703 5.297 19232 760 1 4 . 1 1 31 31 TYR H H 31 8.520 8.520 7.459 1.061 19232 761 1 4 . 1 1 32 32 SER N N 32 117.600 117.600 119.196 -1.596 19232 762 1 4 . 1 1 32 32 SER H H 32 7.295 7.295 8.762 -1.467 19232 763 1 4 . 1 1 33 33 ARG N N 33 125.000 125.000 126.850 -1.850 19232 764 1 4 . 1 1 33 33 ARG H H 33 9.485 9.485 8.693 0.792 19232 765 1 4 . 1 1 34 34 THR N N 34 119.400 119.400 113.042 6.358 19232 766 1 4 . 1 1 34 34 THR H H 34 9.235 9.235 8.525 0.710 19232 767 1 4 . 1 1 35 35 LEU N N 35 126.200 126.200 122.961 3.239 19232 768 1 4 . 1 1 35 35 LEU H H 35 9.510 9.510 7.678 1.832 19232 769 1 4 . 1 1 36 36 PHE N N 36 124.000 124.000 127.955 -3.955 19232 770 1 4 . 1 1 36 36 PHE H H 36 8.820 8.820 9.295 -0.475 19232 771 1 4 . 1 1 37 37 ILE N N 37 127.200 127.200 123.950 3.250 19232 772 1 4 . 1 1 37 37 ILE H H 37 8.260 8.260 8.240 0.020 19232 773 1 4 . 1 1 38 38 GLY N N 38 112.400 112.400 109.818 2.582 19232 774 1 4 . 1 1 38 38 GLY H H 38 8.670 8.670 8.737 -0.067 19232 775 1 4 . 1 1 39 39 GLY N N 39 108.300 108.300 107.900 0.400 19232 776 1 4 . 1 1 39 39 GLY H H 39 8.360 8.360 8.205 0.155 19232 777 1 4 . 1 1 40 40 VAL N N 40 121.200 121.200 117.983 3.217 19232 778 1 4 . 1 1 40 40 VAL H H 40 7.380 7.380 7.331 0.049 19232 779 1 4 . 1 1 42 42 LEU N N 42 120.800 120.800 121.205 -0.405 19232 780 1 4 . 1 1 42 42 LEU H H 42 8.225 8.225 7.689 0.536 19232 781 1 4 . 1 1 43 43 ASN N N 43 112.300 112.300 122.798 -10.498 19232 782 1 4 . 1 1 43 43 ASN H H 43 7.980 7.980 8.830 -0.850 19232 783 1 4 . 1 1 44 44 MET N N 44 122.000 122.000 115.277 6.723 19232 784 1 4 . 1 1 44 44 MET H H 44 7.470 7.470 7.660 -0.190 19232 785 1 4 . 1 1 45 45 LYS N N 45 124.100 124.100 120.230 3.870 19232 786 1 4 . 1 1 45 45 LYS H H 45 8.945 8.945 7.705 1.240 19232 787 1 4 . 1 1 46 46 GLU N N 46 122.400 122.400 126.802 -4.402 19232 788 1 4 . 1 1 46 46 GLU H H 46 9.985 9.985 8.729 1.256 19232 789 1 4 . 1 1 47 47 TRP N N 47 115.200 115.200 119.133 -3.933 19232 790 1 4 . 1 1 47 47 TRP H H 47 7.840 7.840 7.823 0.017 19232 791 1 4 . 1 1 48 48 ASP N N 48 118.900 118.900 118.622 0.278 19232 792 1 4 . 1 1 48 48 ASP H H 48 6.700 6.700 7.743 -1.043 19232 793 1 4 . 1 1 49 49 LEU N N 49 120.300 120.300 119.818 0.482 19232 794 1 4 . 1 1 49 49 LEU H H 49 7.555 7.555 7.616 -0.061 19232 795 1 4 . 1 1 50 50 ALA N N 50 118.800 118.800 121.403 -2.603 19232 796 1 4 . 1 1 50 50 ALA H H 50 7.705 7.705 7.603 0.102 19232 797 1 4 . 1 1 51 51 ASN N N 51 115.900 115.900 116.037 -0.137 19232 798 1 4 . 1 1 51 51 ASN H H 51 7.805 7.805 7.725 0.080 19232 799 1 4 . 1 1 52 52 VAL N N 52 116.000 116.000 112.274 3.726 19232 800 1 4 . 1 1 52 52 VAL H H 52 7.855 7.855 7.227 0.628 19232 801 1 4 . 1 1 53 53 LEU N N 53 116.700 116.700 119.119 -2.419 19232 802 1 4 . 1 1 53 53 LEU H H 53 6.925 6.925 7.418 -0.493 19232 803 1 4 . 1 1 54 54 LYS N N 54 122.400 122.400 119.734 2.666 19232 804 1 4 . 1 1 54 54 LYS H H 54 7.120 7.120 7.399 -0.279 19232 805 1 4 . 1 1 56 56 PHE N N 56 113.000 113.000 112.430 0.570 19232 806 1 4 . 1 1 56 56 PHE H H 56 8.285 8.285 7.146 1.139 19232 807 1 4 . 1 1 57 57 ALA N N 57 119.300 119.300 121.088 -1.788 19232 808 1 4 . 1 1 57 57 ALA H H 57 8.155 8.155 7.370 0.785 19232 809 1 4 . 1 1 58 58 GLU N N 58 119.300 119.300 119.571 -0.271 19232 810 1 4 . 1 1 58 58 GLU H H 58 8.130 8.130 8.512 -0.382 19232 811 1 4 . 1 1 59 59 VAL N N 59 124.200 124.200 125.133 -0.933 19232 812 1 4 . 1 1 59 59 VAL H H 59 7.800 7.800 7.889 -0.089 19232 813 1 4 . 1 1 60 60 GLN N N 60 130.300 130.300 126.114 4.186 19232 814 1 4 . 1 1 60 60 GLN H H 60 8.720 8.720 7.997 0.723 19232 815 1 4 . 1 1 61 61 SER N N 61 111.000 111.000 115.139 -4.139 19232 816 1 4 . 1 1 61 61 SER H H 61 7.560 7.560 7.511 0.049 19232 817 1 4 . 1 1 62 62 VAL N N 62 121.900 121.900 127.564 -5.664 19232 818 1 4 . 1 1 62 62 VAL H H 62 8.310 8.310 8.526 -0.216 19232 819 1 4 . 1 1 63 63 ILE N N 63 127.700 127.700 122.936 4.764 19232 820 1 4 . 1 1 63 63 ILE H H 63 8.735 8.735 8.429 0.306 19232 821 1 4 . 1 1 64 64 LEU N N 64 130.400 130.400 126.096 4.304 19232 822 1 4 . 1 1 64 64 LEU H H 64 9.160 9.160 8.371 0.789 19232 823 1 4 . 1 1 69 69 LYS N N 69 116.400 116.400 113.079 3.321 19232 824 1 4 . 1 1 69 69 LYS H H 69 7.665 7.665 8.259 -0.594 19232 825 1 4 . 1 1 70 70 HIS N N 70 113.800 113.800 116.253 -2.453 19232 826 1 4 . 1 1 70 70 HIS H H 70 7.510 7.510 7.451 0.059 19232 827 1 4 . 1 1 71 71 ALA N N 71 120.500 120.500 122.626 -2.126 19232 828 1 4 . 1 1 71 71 ALA H H 71 8.745 8.745 8.762 -0.017 19232 829 1 4 . 1 1 72 72 PHE N N 72 118.100 118.100 120.800 -2.700 19232 830 1 4 . 1 1 72 72 PHE H H 72 8.685 8.685 8.362 0.323 19232 831 1 4 . 1 1 73 73 VAL N N 73 125.900 125.900 119.630 6.270 19232 832 1 4 . 1 1 73 73 VAL H H 73 9.425 9.425 8.295 1.130 19232 833 1 4 . 1 1 74 74 LYS N N 74 129.700 129.700 121.714 7.986 19232 834 1 4 . 1 1 74 74 LYS H H 74 8.725 8.725 8.153 0.572 19232 835 1 4 . 1 1 75 75 VAL N N 75 118.800 118.800 121.204 -2.404 19232 836 1 4 . 1 1 75 75 VAL H H 75 8.385 8.385 8.319 0.066 19232 837 1 4 . 1 1 76 76 TYR N N 76 114.800 114.800 120.733 -5.933 19232 838 1 4 . 1 1 76 76 TYR H H 76 6.995 6.995 8.414 -1.419 19232 839 1 4 . 1 1 77 77 SER N N 77 107.200 107.200 115.473 -8.273 19232 840 1 4 . 1 1 77 77 SER H H 77 7.150 7.150 8.013 -0.863 19232 841 1 4 . 1 1 78 78 ARG N N 78 124.900 124.900 127.261 -2.361 19232 842 1 4 . 1 1 78 78 ARG H H 78 9.225 9.225 9.079 0.146 19232 843 1 4 . 1 1 79 79 HIS N N 79 119.900 119.900 113.203 6.697 19232 844 1 4 . 1 1 79 79 HIS H H 79 9.105 9.105 8.739 0.366 19232 845 1 4 . 1 1 80 80 GLU N N 80 118.200 118.200 120.310 -2.110 19232 846 1 4 . 1 1 80 80 GLU H H 80 7.690 7.690 7.083 0.607 19232 847 1 4 . 1 1 81 81 ALA N N 81 123.500 123.500 122.554 0.946 19232 848 1 4 . 1 1 81 81 ALA H H 81 7.695 7.695 7.572 0.123 19232 849 1 4 . 1 1 82 82 GLU N N 82 116.400 116.400 117.140 -0.740 19232 850 1 4 . 1 1 82 82 GLU H H 82 8.450 8.450 7.683 0.767 19232 851 1 4 . 1 1 83 83 ASN N N 83 118.500 118.500 116.864 1.636 19232 852 1 4 . 1 1 83 83 ASN H H 83 7.835 7.835 7.599 0.236 19232 853 1 4 . 1 1 84 84 VAL N N 84 118.300 118.300 121.829 -3.529 19232 854 1 4 . 1 1 84 84 VAL H H 84 7.785 7.785 7.384 0.401 19232 855 1 4 . 1 1 85 85 LEU N N 85 119.400 119.400 117.921 1.479 19232 856 1 4 . 1 1 85 85 LEU H H 85 7.590 7.590 7.389 0.201 19232 857 1 4 . 1 1 86 86 GLN N N 86 113.600 113.600 119.171 -5.571 19232 858 1 4 . 1 1 86 86 GLN H H 86 7.985 7.985 7.582 0.403 19232 859 1 4 . 1 1 87 87 ASN N N 87 112.000 112.000 115.958 -3.958 19232 860 1 4 . 1 1 87 87 ASN H H 87 7.545 7.545 7.448 0.097 19232 861 1 4 . 1 1 88 88 PHE N N 88 121.900 121.900 118.464 3.436 19232 862 1 4 . 1 1 88 88 PHE H H 88 8.265 8.265 8.341 -0.076 19232 863 1 4 . 1 1 89 89 ASN N N 89 126.900 126.900 114.499 12.401 19232 864 1 4 . 1 1 89 89 ASN H H 89 8.515 8.515 7.802 0.713 19232 865 1 4 . 1 1 90 90 LYS N N 90 119.900 119.900 118.315 1.585 19232 866 1 4 . 1 1 90 90 LYS H H 90 7.655 7.655 7.646 0.009 19232 867 1 4 . 1 1 91 91 ASP N N 91 115.600 115.600 119.917 -4.317 19232 868 1 4 . 1 1 91 91 ASP H H 91 8.050 8.050 7.752 0.298 19232 869 1 4 . 1 1 92 92 GLY N N 92 108.400 108.400 107.542 0.858 19232 870 1 4 . 1 1 92 92 GLY H H 92 7.425 7.425 8.667 -1.242 19232 871 1 4 . 1 1 93 93 ALA N N 93 122.000 122.000 120.535 1.465 19232 872 1 4 . 1 1 93 93 ALA H H 93 7.545 7.545 8.170 -0.625 19232 873 1 4 . 1 1 94 94 LEU N N 94 115.600 115.600 121.552 -5.952 19232 874 1 4 . 1 1 94 94 LEU H H 94 8.455 8.455 7.667 0.788 19232 875 1 4 . 1 1 96 96 LEU N N 96 115.700 115.700 120.914 -5.214 19232 876 1 4 . 1 1 96 96 LEU H H 96 5.775 5.775 7.514 -1.739 19232 877 1 4 . 1 1 97 97 ARG N N 97 123.300 123.300 126.381 -3.081 19232 878 1 4 . 1 1 97 97 ARG H H 97 8.290 8.290 8.288 0.002 19232 879 1 4 . 1 1 98 98 THR N N 98 120.000 120.000 113.426 6.574 19232 880 1 4 . 1 1 98 98 THR H H 98 8.280 8.280 8.431 -0.151 19232 881 1 4 . 1 1 99 99 ARG N N 99 122.300 122.300 124.741 -2.441 19232 882 1 4 . 1 1 99 99 ARG H H 99 9.005 9.005 9.203 -0.198 19232 883 1 4 . 1 1 100 100 TRP N N 100 120.100 120.100 123.795 -3.695 19232 884 1 4 . 1 1 100 100 TRP H H 100 8.325 8.325 8.123 0.202 19232 885 1 4 . 1 1 101 101 GLY N N 101 107.300 107.300 106.838 0.462 19232 886 1 4 . 1 1 101 101 GLY H H 101 8.940 8.940 8.276 0.664 19232 887 1 4 . 1 1 102 102 VAL N N 102 119.800 119.800 120.091 -0.291 19232 888 1 4 . 1 1 102 102 VAL H H 102 8.130 8.130 8.627 -0.497 19232 889 1 4 . 1 1 103 103 GLY N N 103 117.200 117.200 113.843 3.357 19232 890 1 4 . 1 1 103 103 GLY H H 103 9.440 9.440 8.177 1.263 19232 891 1 4 . 1 1 104 104 PHE N N 104 120.600 120.600 117.482 3.118 19232 892 1 4 . 1 1 104 104 PHE H H 104 7.280 7.280 7.828 -0.548 19232 893 1 4 . 1 1 105 105 GLY N N 105 117.100 117.100 110.639 6.461 19232 894 1 4 . 1 1 105 105 GLY H H 105 8.565 8.565 7.762 0.803 19232 895 1 4 . 1 1 109 109 CYS N N 109 115.300 115.300 122.278 -6.978 19232 896 1 4 . 1 1 109 109 CYS H H 109 6.915 6.915 8.597 -1.682 19232 897 1 4 . 1 1 110 110 CYS N N 110 119.000 119.000 121.217 -2.217 19232 898 1 4 . 1 1 110 110 CYS H H 110 7.130 7.130 8.069 -0.939 19232 899 1 4 . 1 1 111 111 ASP N N 111 128.800 128.800 121.990 6.810 19232 900 1 4 . 1 1 111 111 ASP H H 111 8.245 8.245 7.865 0.380 19232 901 1 4 . 1 1 112 112 TYR N N 112 124.400 124.400 122.436 1.964 19232 902 1 4 . 1 1 112 112 TYR H H 112 8.425 8.425 8.744 -0.319 19232 903 1 4 . 1 1 113 113 GLN N N 113 117.900 117.900 119.286 -1.386 19232 904 1 4 . 1 1 113 113 GLN H H 113 8.065 8.065 8.556 -0.491 19232 905 1 4 . 1 1 114 114 HIS N N 114 114.200 114.200 116.018 -1.818 19232 906 1 4 . 1 1 114 114 HIS H H 114 6.925 6.925 7.761 -0.836 19232 907 1 4 . 1 1 115 115 GLY N N 115 109.200 109.200 107.331 1.869 19232 908 1 4 . 1 1 115 115 GLY H H 115 8.430 8.430 7.729 0.701 19232 909 1 4 . 1 1 116 116 TYR N N 116 115.800 115.800 123.820 -8.020 19232 910 1 4 . 1 1 116 116 TYR H H 116 6.695 6.695 8.085 -1.390 19232 911 1 4 . 1 1 117 117 SER N N 117 116.200 116.200 115.804 0.396 19232 912 1 4 . 1 1 117 117 SER H H 117 8.745 8.745 8.051 0.694 19232 913 1 4 . 1 1 118 118 ILE N N 118 126.500 126.500 118.123 8.377 19232 914 1 4 . 1 1 118 118 ILE H H 118 7.560 7.560 7.613 -0.053 19232 915 1 4 . 1 1 121 121 MET N N 121 124.000 124.000 115.043 8.957 19232 916 1 4 . 1 1 121 121 MET H H 121 8.885 8.885 7.988 0.897 19232 917 1 4 . 1 1 122 122 HIS N N 122 113.700 113.700 117.082 -3.382 19232 918 1 4 . 1 1 122 122 HIS H H 122 7.855 7.855 7.692 0.163 19232 919 1 4 . 1 1 123 123 ARG N N 123 117.500 117.500 119.693 -2.193 19232 920 1 4 . 1 1 123 123 ARG H H 123 7.320 7.320 8.265 -0.945 19232 921 1 4 . 1 1 124 124 LEU N N 124 119.300 119.300 121.134 -1.834 19232 922 1 4 . 1 1 124 124 LEU H H 124 7.120 7.120 7.403 -0.283 19232 923 1 4 . 1 1 125 125 THR N N 125 116.000 116.000 112.118 3.882 19232 924 1 4 . 1 1 125 125 THR H H 125 9.485 9.485 8.079 1.406 19232 925 1 4 . 1 1 126 126 ASP N N 126 121.700 121.700 121.831 -0.131 19232 926 1 4 . 1 1 126 126 ASP H H 126 8.750 8.750 7.439 1.311 19232 927 1 4 . 1 1 127 127 ALA N N 127 123.300 123.300 119.543 3.757 19232 928 1 4 . 1 1 127 127 ALA H H 127 8.105 8.105 7.187 0.918 19232 929 1 4 . 1 1 128 128 ASP N N 128 118.700 118.700 117.115 1.585 19232 930 1 4 . 1 1 128 128 ASP H H 128 7.675 7.675 8.047 -0.372 19232 931 1 4 . 1 1 129 129 LYS N N 129 120.100 120.100 118.636 1.464 19232 932 1 4 . 1 1 129 129 LYS H H 129 7.985 7.985 7.600 0.385 19232 933 1 4 . 1 1 130 130 LYS N N 130 121.500 121.500 117.937 3.563 19232 934 1 4 . 1 1 130 130 LYS H H 130 7.705 7.705 7.387 0.318 19232 935 1 4 . 1 1 131 131 TRP N N 131 122.200 122.200 119.367 2.833 19232 936 1 4 . 1 1 131 131 TRP H H 131 8.905 8.905 7.457 1.448 19232 937 1 4 . 1 1 132 132 SER N N 132 111.800 111.800 112.201 -0.401 19232 938 1 4 . 1 1 132 132 SER H H 132 7.880 7.880 7.780 0.100 19232 939 1 4 . 1 1 133 133 VAL N N 133 110.900 110.900 117.977 -7.077 19232 940 1 4 . 1 1 133 133 VAL H H 133 6.685 6.685 7.363 -0.678 19232 941 1 4 . 1 1 134 134 SER N N 134 112.900 112.900 118.083 -5.183 19232 942 1 4 . 1 1 134 134 SER H H 134 7.495 7.495 8.151 -0.656 19232 943 1 4 . 1 1 135 135 ALA N N 135 125.800 125.800 123.741 2.059 19232 944 1 4 . 1 1 135 135 ALA H H 135 7.735 7.735 7.904 -0.169 19232 945 1 4 . 1 1 136 136 GLN N N 136 118.500 118.500 117.481 1.019 19232 946 1 4 . 1 1 136 136 GLN H H 136 8.825 8.825 7.644 1.181 19232 947 1 4 . 1 1 137 137 TRP N N 137 120.200 120.200 122.463 -2.263 19232 948 1 4 . 1 1 137 137 TRP H H 137 8.385 8.385 8.593 -0.208 19232 949 1 4 . 1 1 138 138 GLY N N 138 107.300 107.300 110.935 -3.635 19232 950 1 4 . 1 1 138 138 GLY H H 138 8.400 8.400 8.213 0.187 19232 951 1 4 . 1 1 139 139 GLY N N 139 101.600 101.600 106.891 -5.291 19232 952 1 4 . 1 1 139 139 GLY H H 139 8.400 8.400 8.500 -0.100 19232 953 1 4 . 1 1 140 140 THR N N 140 107.900 107.900 115.726 -7.826 19232 954 1 4 . 1 1 140 140 THR H H 140 8.495 8.495 8.067 0.428 19232 955 1 4 . 1 1 141 141 SER N N 141 120.200 120.200 114.664 5.536 19232 956 1 4 . 1 1 141 141 SER H H 141 9.350 9.350 8.294 1.056 19232 957 1 4 . 1 1 142 142 GLY N N 142 105.800 105.800 108.083 -2.283 19232 958 1 4 . 1 1 142 142 GLY H H 142 7.880 7.880 8.381 -0.501 19232 959 1 4 . 1 1 143 143 GLN N N 143 123.100 123.100 116.873 6.227 19232 960 1 4 . 1 1 143 143 GLN H H 143 7.350 7.350 7.675 -0.325 19232 961 1 4 . 1 1 145 145 LEU N N 145 118.500 118.500 115.123 3.377 19232 962 1 4 . 1 1 145 145 LEU H H 145 8.130 8.130 7.740 0.390 19232 963 1 4 . 1 1 146 146 VAL N N 146 116.600 116.600 112.070 4.530 19232 964 1 4 . 1 1 146 146 VAL H H 146 6.550 6.550 7.276 -0.726 19232 965 1 4 . 1 1 147 147 THR N N 147 117.400 117.400 117.082 0.318 19232 966 1 4 . 1 1 147 147 THR H H 147 8.355 8.355 7.638 0.718 19232 967 1 4 . 1 1 148 148 GLY N N 148 113.700 113.700 110.045 3.655 19232 968 1 4 . 1 1 148 148 GLY H H 148 8.970 8.970 8.064 0.906 19232 969 1 4 . 1 1 149 149 ILE N N 149 121.700 121.700 121.094 0.606 19232 970 1 4 . 1 1 149 149 ILE H H 149 7.865 7.865 7.695 0.170 19232 971 1 4 . 1 1 150 150 VAL N N 150 125.800 125.800 119.590 6.210 19232 972 1 4 . 1 1 150 150 VAL H H 150 8.120 8.120 8.303 -0.183 19232 973 1 4 . 1 1 151 151 PHE N N 151 118.300 118.300 120.165 -1.865 19232 974 1 4 . 1 1 151 151 PHE H H 151 7.965 7.965 7.694 0.271 19232 975 1 4 . 1 1 152 152 GLU N N 152 118.100 118.100 122.183 -4.083 19232 976 1 4 . 1 1 152 152 GLU H H 152 9.530 9.530 8.502 1.028 19232 977 1 4 . 1 1 158 158 VAL N N 158 126.000 126.000 121.491 4.509 19232 978 1 4 . 1 1 158 158 VAL H H 158 8.200 8.200 7.854 0.346 19232 979 1 4 . 1 1 159 159 GLY N N 159 113.000 113.000 113.065 -0.065 19232 980 1 4 . 1 1 159 159 GLY H H 159 8.440 8.440 8.669 -0.229 19232 981 1 4 . 1 1 160 160 GLU N N 160 120.700 120.700 120.605 0.095 19232 982 1 4 . 1 1 160 160 GLU H H 160 8.270 8.270 8.167 0.103 19232 983 1 4 . 1 1 162 162 VAL N N 162 120.000 120.000 120.278 -0.278 19232 984 1 4 . 1 1 162 162 VAL H H 162 7.960 7.960 8.331 -0.371 19232 985 1 5 . 1 1 18 18 SER N N 18 122.200 122.200 119.380 2.820 19232 986 1 5 . 1 1 18 18 SER H H 18 8.786 8.786 7.655 1.131 19232 987 1 5 . 1 1 19 19 TYR N N 19 115.700 115.700 120.372 -4.672 19232 988 1 5 . 1 1 19 19 TYR H H 19 8.135 8.135 8.523 -0.388 19232 989 1 5 . 1 1 20 20 ASP N N 20 126.400 126.400 122.612 3.788 19232 990 1 5 . 1 1 20 20 ASP H H 20 9.595 9.595 8.843 0.752 19232 991 1 5 . 1 1 22 22 THR N N 22 113.200 113.200 113.954 -0.754 19232 992 1 5 . 1 1 22 22 THR H H 22 8.875 8.875 8.233 0.642 19232 993 1 5 . 1 1 23 23 LEU N N 23 122.800 122.800 122.379 0.421 19232 994 1 5 . 1 1 23 23 LEU H H 23 6.765 6.765 8.308 -1.543 19232 995 1 5 . 1 1 26 26 ASP N N 26 123.500 123.500 114.826 8.674 19232 996 1 5 . 1 1 26 26 ASP H H 26 9.395 9.395 8.215 1.180 19232 997 1 5 . 1 1 27 27 HIS N N 27 116.900 116.900 118.763 -1.863 19232 998 1 5 . 1 1 27 27 HIS H H 27 7.965 7.965 7.980 -0.015 19232 999 1 5 . 1 1 28 28 ILE N N 28 113.200 113.200 118.624 -5.424 19232 1000 1 5 . 1 1 28 28 ILE H H 28 8.115 8.115 7.610 0.505 19232 1001 1 5 . 1 1 29 29 LYS N N 29 123.200 123.200 127.344 -4.144 19232 1002 1 5 . 1 1 29 29 LYS H H 29 8.610 8.610 8.892 -0.282 19232 1003 1 5 . 1 1 30 30 VAL N N 30 122.300 122.300 113.209 9.091 19232 1004 1 5 . 1 1 30 30 VAL H H 30 8.130 8.130 7.572 0.558 19232 1005 1 5 . 1 1 31 31 TYR N N 31 124.000 124.000 122.333 1.667 19232 1006 1 5 . 1 1 31 31 TYR H H 31 8.520 8.520 7.875 0.645 19232 1007 1 5 . 1 1 32 32 SER N N 32 117.600 117.600 117.887 -0.287 19232 1008 1 5 . 1 1 32 32 SER H H 32 7.295 7.295 7.010 0.285 19232 1009 1 5 . 1 1 33 33 ARG N N 33 125.000 125.000 117.627 7.373 19232 1010 1 5 . 1 1 33 33 ARG H H 33 9.485 9.485 8.118 1.367 19232 1011 1 5 . 1 1 34 34 THR N N 34 119.400 119.400 116.649 2.751 19232 1012 1 5 . 1 1 34 34 THR H H 34 9.235 9.235 7.827 1.408 19232 1013 1 5 . 1 1 35 35 LEU N N 35 126.200 126.200 127.069 -0.869 19232 1014 1 5 . 1 1 35 35 LEU H H 35 9.510 9.510 8.595 0.915 19232 1015 1 5 . 1 1 36 36 PHE N N 36 124.000 124.000 127.758 -3.758 19232 1016 1 5 . 1 1 36 36 PHE H H 36 8.820 8.820 9.264 -0.444 19232 1017 1 5 . 1 1 37 37 ILE N N 37 127.200 127.200 125.893 1.307 19232 1018 1 5 . 1 1 37 37 ILE H H 37 8.260 8.260 8.125 0.135 19232 1019 1 5 . 1 1 38 38 GLY N N 38 112.400 112.400 111.163 1.237 19232 1020 1 5 . 1 1 38 38 GLY H H 38 8.670 8.670 8.305 0.365 19232 1021 1 5 . 1 1 39 39 GLY N N 39 108.300 108.300 108.586 -0.286 19232 1022 1 5 . 1 1 39 39 GLY H H 39 8.360 8.360 8.905 -0.545 19232 1023 1 5 . 1 1 40 40 VAL N N 40 121.200 121.200 116.981 4.219 19232 1024 1 5 . 1 1 40 40 VAL H H 40 7.380 7.380 7.796 -0.416 19232 1025 1 5 . 1 1 42 42 LEU N N 42 120.800 120.800 115.370 5.430 19232 1026 1 5 . 1 1 42 42 LEU H H 42 8.225 8.225 7.431 0.794 19232 1027 1 5 . 1 1 43 43 ASN N N 43 112.300 112.300 118.374 -6.074 19232 1028 1 5 . 1 1 43 43 ASN H H 43 7.980 7.980 8.773 -0.793 19232 1029 1 5 . 1 1 44 44 MET N N 44 122.000 122.000 117.215 4.785 19232 1030 1 5 . 1 1 44 44 MET H H 44 7.470 7.470 7.734 -0.264 19232 1031 1 5 . 1 1 45 45 LYS N N 45 124.100 124.100 120.888 3.212 19232 1032 1 5 . 1 1 45 45 LYS H H 45 8.945 8.945 7.529 1.416 19232 1033 1 5 . 1 1 46 46 GLU N N 46 122.400 122.400 125.486 -3.086 19232 1034 1 5 . 1 1 46 46 GLU H H 46 9.985 9.985 8.839 1.146 19232 1035 1 5 . 1 1 47 47 TRP N N 47 115.200 115.200 115.860 -0.660 19232 1036 1 5 . 1 1 47 47 TRP H H 47 7.840 7.840 7.842 -0.002 19232 1037 1 5 . 1 1 48 48 ASP N N 48 118.900 118.900 121.328 -2.428 19232 1038 1 5 . 1 1 48 48 ASP H H 48 6.700 6.700 7.649 -0.949 19232 1039 1 5 . 1 1 49 49 LEU N N 49 120.300 120.300 119.322 0.978 19232 1040 1 5 . 1 1 49 49 LEU H H 49 7.555 7.555 7.414 0.141 19232 1041 1 5 . 1 1 50 50 ALA N N 50 118.800 118.800 121.650 -2.850 19232 1042 1 5 . 1 1 50 50 ALA H H 50 7.705 7.705 7.622 0.083 19232 1043 1 5 . 1 1 51 51 ASN N N 51 115.900 115.900 115.326 0.574 19232 1044 1 5 . 1 1 51 51 ASN H H 51 7.805 7.805 7.864 -0.059 19232 1045 1 5 . 1 1 52 52 VAL N N 52 116.000 116.000 113.440 2.560 19232 1046 1 5 . 1 1 52 52 VAL H H 52 7.855 7.855 7.315 0.540 19232 1047 1 5 . 1 1 53 53 LEU N N 53 116.700 116.700 120.017 -3.317 19232 1048 1 5 . 1 1 53 53 LEU H H 53 6.925 6.925 7.585 -0.660 19232 1049 1 5 . 1 1 54 54 LYS N N 54 122.400 122.400 119.888 2.512 19232 1050 1 5 . 1 1 54 54 LYS H H 54 7.120 7.120 7.460 -0.340 19232 1051 1 5 . 1 1 56 56 PHE N N 56 113.000 113.000 113.081 -0.081 19232 1052 1 5 . 1 1 56 56 PHE H H 56 8.285 8.285 7.754 0.531 19232 1053 1 5 . 1 1 57 57 ALA N N 57 119.300 119.300 121.388 -2.088 19232 1054 1 5 . 1 1 57 57 ALA H H 57 8.155 8.155 7.129 1.026 19232 1055 1 5 . 1 1 58 58 GLU N N 58 119.300 119.300 121.299 -1.999 19232 1056 1 5 . 1 1 58 58 GLU H H 58 8.130 8.130 8.895 -0.765 19232 1057 1 5 . 1 1 59 59 VAL N N 59 124.200 124.200 121.133 3.067 19232 1058 1 5 . 1 1 59 59 VAL H H 59 7.800 7.800 7.421 0.379 19232 1059 1 5 . 1 1 60 60 GLN N N 60 130.300 130.300 125.931 4.369 19232 1060 1 5 . 1 1 60 60 GLN H H 60 8.720 8.720 8.247 0.473 19232 1061 1 5 . 1 1 61 61 SER N N 61 111.000 111.000 116.718 -5.718 19232 1062 1 5 . 1 1 61 61 SER H H 61 7.560 7.560 7.611 -0.051 19232 1063 1 5 . 1 1 62 62 VAL N N 62 121.900 121.900 125.054 -3.154 19232 1064 1 5 . 1 1 62 62 VAL H H 62 8.310 8.310 8.519 -0.209 19232 1065 1 5 . 1 1 63 63 ILE N N 63 127.700 127.700 128.306 -0.606 19232 1066 1 5 . 1 1 63 63 ILE H H 63 8.735 8.735 8.558 0.177 19232 1067 1 5 . 1 1 64 64 LEU N N 64 130.400 130.400 127.237 3.163 19232 1068 1 5 . 1 1 64 64 LEU H H 64 9.160 9.160 8.346 0.814 19232 1069 1 5 . 1 1 69 69 LYS N N 69 116.400 116.400 116.024 0.376 19232 1070 1 5 . 1 1 69 69 LYS H H 69 7.665 7.665 7.869 -0.204 19232 1071 1 5 . 1 1 70 70 HIS N N 70 113.800 113.800 116.397 -2.597 19232 1072 1 5 . 1 1 70 70 HIS H H 70 7.510 7.510 7.353 0.157 19232 1073 1 5 . 1 1 71 71 ALA N N 71 120.500 120.500 124.277 -3.777 19232 1074 1 5 . 1 1 71 71 ALA H H 71 8.745 8.745 8.091 0.654 19232 1075 1 5 . 1 1 72 72 PHE N N 72 118.100 118.100 117.338 0.762 19232 1076 1 5 . 1 1 72 72 PHE H H 72 8.685 8.685 8.746 -0.061 19232 1077 1 5 . 1 1 73 73 VAL N N 73 125.900 125.900 114.168 11.732 19232 1078 1 5 . 1 1 73 73 VAL H H 73 9.425 9.425 9.234 0.191 19232 1079 1 5 . 1 1 74 74 LYS N N 74 129.700 129.700 121.423 8.277 19232 1080 1 5 . 1 1 74 74 LYS H H 74 8.725 8.725 8.512 0.213 19232 1081 1 5 . 1 1 75 75 VAL N N 75 118.800 118.800 118.858 -0.058 19232 1082 1 5 . 1 1 75 75 VAL H H 75 8.385 8.385 8.252 0.133 19232 1083 1 5 . 1 1 76 76 TYR N N 76 114.800 114.800 121.950 -7.150 19232 1084 1 5 . 1 1 76 76 TYR H H 76 6.995 6.995 8.336 -1.341 19232 1085 1 5 . 1 1 77 77 SER N N 77 107.200 107.200 113.936 -6.736 19232 1086 1 5 . 1 1 77 77 SER H H 77 7.150 7.150 7.625 -0.475 19232 1087 1 5 . 1 1 78 78 ARG N N 78 124.900 124.900 127.587 -2.687 19232 1088 1 5 . 1 1 78 78 ARG H H 78 9.225 9.225 8.801 0.424 19232 1089 1 5 . 1 1 79 79 HIS N N 79 119.900 119.900 116.712 3.188 19232 1090 1 5 . 1 1 79 79 HIS H H 79 9.105 9.105 7.652 1.453 19232 1091 1 5 . 1 1 80 80 GLU N N 80 118.200 118.200 119.124 -0.924 19232 1092 1 5 . 1 1 80 80 GLU H H 80 7.690 7.690 7.789 -0.099 19232 1093 1 5 . 1 1 81 81 ALA N N 81 123.500 123.500 121.776 1.724 19232 1094 1 5 . 1 1 81 81 ALA H H 81 7.695 7.695 7.362 0.333 19232 1095 1 5 . 1 1 82 82 GLU N N 82 116.400 116.400 118.020 -1.620 19232 1096 1 5 . 1 1 82 82 GLU H H 82 8.450 8.450 7.800 0.650 19232 1097 1 5 . 1 1 83 83 ASN N N 83 118.500 118.500 117.571 0.929 19232 1098 1 5 . 1 1 83 83 ASN H H 83 7.835 7.835 7.659 0.176 19232 1099 1 5 . 1 1 84 84 VAL N N 84 118.300 118.300 120.663 -2.363 19232 1100 1 5 . 1 1 84 84 VAL H H 84 7.785 7.785 7.393 0.392 19232 1101 1 5 . 1 1 85 85 LEU N N 85 119.400 119.400 118.106 1.294 19232 1102 1 5 . 1 1 85 85 LEU H H 85 7.590 7.590 7.516 0.074 19232 1103 1 5 . 1 1 86 86 GLN N N 86 113.600 113.600 117.218 -3.618 19232 1104 1 5 . 1 1 86 86 GLN H H 86 7.985 7.985 7.658 0.327 19232 1105 1 5 . 1 1 87 87 ASN N N 87 112.000 112.000 118.359 -6.359 19232 1106 1 5 . 1 1 87 87 ASN H H 87 7.545 7.545 7.576 -0.031 19232 1107 1 5 . 1 1 88 88 PHE N N 88 121.900 121.900 119.041 2.859 19232 1108 1 5 . 1 1 88 88 PHE H H 88 8.265 8.265 7.815 0.450 19232 1109 1 5 . 1 1 89 89 ASN N N 89 126.900 126.900 115.400 11.500 19232 1110 1 5 . 1 1 89 89 ASN H H 89 8.515 8.515 7.679 0.836 19232 1111 1 5 . 1 1 90 90 LYS N N 90 119.900 119.900 118.475 1.425 19232 1112 1 5 . 1 1 90 90 LYS H H 90 7.655 7.655 7.626 0.029 19232 1113 1 5 . 1 1 91 91 ASP N N 91 115.600 115.600 118.579 -2.979 19232 1114 1 5 . 1 1 91 91 ASP H H 91 8.050 8.050 7.650 0.400 19232 1115 1 5 . 1 1 92 92 GLY N N 92 108.400 108.400 107.862 0.538 19232 1116 1 5 . 1 1 92 92 GLY H H 92 7.425 7.425 8.617 -1.192 19232 1117 1 5 . 1 1 93 93 ALA N N 93 122.000 122.000 121.157 0.843 19232 1118 1 5 . 1 1 93 93 ALA H H 93 7.545 7.545 7.938 -0.393 19232 1119 1 5 . 1 1 94 94 LEU N N 94 115.600 115.600 121.796 -6.196 19232 1120 1 5 . 1 1 94 94 LEU H H 94 8.455 8.455 7.770 0.685 19232 1121 1 5 . 1 1 96 96 LEU N N 96 115.700 115.700 121.036 -5.336 19232 1122 1 5 . 1 1 96 96 LEU H H 96 5.775 5.775 7.668 -1.893 19232 1123 1 5 . 1 1 97 97 ARG N N 97 123.300 123.300 123.156 0.144 19232 1124 1 5 . 1 1 97 97 ARG H H 97 8.290 8.290 8.866 -0.576 19232 1125 1 5 . 1 1 98 98 THR N N 98 120.000 120.000 115.941 4.059 19232 1126 1 5 . 1 1 98 98 THR H H 98 8.280 8.280 7.492 0.788 19232 1127 1 5 . 1 1 99 99 ARG N N 99 122.300 122.300 129.134 -6.834 19232 1128 1 5 . 1 1 99 99 ARG H H 99 9.005 9.005 8.621 0.384 19232 1129 1 5 . 1 1 100 100 TRP N N 100 120.100 120.100 125.400 -5.300 19232 1130 1 5 . 1 1 100 100 TRP H H 100 8.325 8.325 8.391 -0.066 19232 1131 1 5 . 1 1 101 101 GLY N N 101 107.300 107.300 107.237 0.063 19232 1132 1 5 . 1 1 101 101 GLY H H 101 8.940 8.940 8.804 0.136 19232 1133 1 5 . 1 1 102 102 VAL N N 102 119.800 119.800 118.509 1.291 19232 1134 1 5 . 1 1 102 102 VAL H H 102 8.130 8.130 8.204 -0.074 19232 1135 1 5 . 1 1 103 103 GLY N N 103 117.200 117.200 113.452 3.748 19232 1136 1 5 . 1 1 103 103 GLY H H 103 9.440 9.440 8.401 1.039 19232 1137 1 5 . 1 1 104 104 PHE N N 104 120.600 120.600 124.059 -3.459 19232 1138 1 5 . 1 1 104 104 PHE H H 104 7.280 7.280 8.380 -1.100 19232 1139 1 5 . 1 1 105 105 GLY N N 105 117.100 117.100 110.251 6.849 19232 1140 1 5 . 1 1 105 105 GLY H H 105 8.565 8.565 7.963 0.602 19232 1141 1 5 . 1 1 109 109 CYS N N 109 115.300 115.300 125.241 -9.941 19232 1142 1 5 . 1 1 109 109 CYS H H 109 6.915 6.915 8.731 -1.816 19232 1143 1 5 . 1 1 110 110 CYS N N 110 119.000 119.000 122.463 -3.463 19232 1144 1 5 . 1 1 110 110 CYS H H 110 7.130 7.130 8.139 -1.009 19232 1145 1 5 . 1 1 111 111 ASP N N 111 128.800 128.800 126.837 1.963 19232 1146 1 5 . 1 1 111 111 ASP H H 111 8.245 8.245 8.124 0.121 19232 1147 1 5 . 1 1 112 112 TYR N N 112 124.400 124.400 121.657 2.743 19232 1148 1 5 . 1 1 112 112 TYR H H 112 8.425 8.425 8.728 -0.303 19232 1149 1 5 . 1 1 113 113 GLN N N 113 117.900 117.900 119.192 -1.292 19232 1150 1 5 . 1 1 113 113 GLN H H 113 8.065 8.065 8.476 -0.411 19232 1151 1 5 . 1 1 114 114 HIS N N 114 114.200 114.200 116.451 -2.251 19232 1152 1 5 . 1 1 114 114 HIS H H 114 6.925 6.925 7.806 -0.881 19232 1153 1 5 . 1 1 115 115 GLY N N 115 109.200 109.200 106.405 2.795 19232 1154 1 5 . 1 1 115 115 GLY H H 115 8.430 8.430 7.894 0.536 19232 1155 1 5 . 1 1 116 116 TYR N N 116 115.800 115.800 124.167 -8.367 19232 1156 1 5 . 1 1 116 116 TYR H H 116 6.695 6.695 7.955 -1.260 19232 1157 1 5 . 1 1 117 117 SER N N 117 116.200 116.200 116.010 0.190 19232 1158 1 5 . 1 1 117 117 SER H H 117 8.745 8.745 7.829 0.916 19232 1159 1 5 . 1 1 118 118 ILE N N 118 126.500 126.500 121.375 5.125 19232 1160 1 5 . 1 1 118 118 ILE H H 118 7.560 7.560 8.068 -0.508 19232 1161 1 5 . 1 1 121 121 MET N N 121 124.000 124.000 114.575 9.425 19232 1162 1 5 . 1 1 121 121 MET H H 121 8.885 8.885 8.465 0.420 19232 1163 1 5 . 1 1 122 122 HIS N N 122 113.700 113.700 121.623 -7.923 19232 1164 1 5 . 1 1 122 122 HIS H H 122 7.855 7.855 7.895 -0.040 19232 1165 1 5 . 1 1 123 123 ARG N N 123 117.500 117.500 116.567 0.933 19232 1166 1 5 . 1 1 123 123 ARG H H 123 7.320 7.320 7.950 -0.630 19232 1167 1 5 . 1 1 124 124 LEU N N 124 119.300 119.300 121.624 -2.324 19232 1168 1 5 . 1 1 124 124 LEU H H 124 7.120 7.120 7.700 -0.580 19232 1169 1 5 . 1 1 125 125 THR N N 125 116.000 116.000 115.217 0.783 19232 1170 1 5 . 1 1 125 125 THR H H 125 9.485 9.485 8.494 0.991 19232 1171 1 5 . 1 1 126 126 ASP N N 126 121.700 121.700 121.406 0.294 19232 1172 1 5 . 1 1 126 126 ASP H H 126 8.750 8.750 7.547 1.203 19232 1173 1 5 . 1 1 127 127 ALA N N 127 123.300 123.300 119.557 3.743 19232 1174 1 5 . 1 1 127 127 ALA H H 127 8.105 8.105 7.400 0.705 19232 1175 1 5 . 1 1 128 128 ASP N N 128 118.700 118.700 117.255 1.445 19232 1176 1 5 . 1 1 128 128 ASP H H 128 7.675 7.675 7.756 -0.081 19232 1177 1 5 . 1 1 129 129 LYS N N 129 120.100 120.100 118.841 1.259 19232 1178 1 5 . 1 1 129 129 LYS H H 129 7.985 7.985 7.537 0.448 19232 1179 1 5 . 1 1 130 130 LYS N N 130 121.500 121.500 120.340 1.160 19232 1180 1 5 . 1 1 130 130 LYS H H 130 7.705 7.705 7.337 0.368 19232 1181 1 5 . 1 1 131 131 TRP N N 131 122.200 122.200 119.290 2.910 19232 1182 1 5 . 1 1 131 131 TRP H H 131 8.905 8.905 7.361 1.544 19232 1183 1 5 . 1 1 132 132 SER N N 132 111.800 111.800 113.977 -2.177 19232 1184 1 5 . 1 1 132 132 SER H H 132 7.880 7.880 8.010 -0.130 19232 1185 1 5 . 1 1 133 133 VAL N N 133 110.900 110.900 114.833 -3.933 19232 1186 1 5 . 1 1 133 133 VAL H H 133 6.685 6.685 7.467 -0.782 19232 1187 1 5 . 1 1 134 134 SER N N 134 112.900 112.900 115.979 -3.079 19232 1188 1 5 . 1 1 134 134 SER H H 134 7.495 7.495 7.592 -0.097 19232 1189 1 5 . 1 1 135 135 ALA N N 135 125.800 125.800 122.586 3.214 19232 1190 1 5 . 1 1 135 135 ALA H H 135 7.735 7.735 8.033 -0.298 19232 1191 1 5 . 1 1 136 136 GLN N N 136 118.500 118.500 117.461 1.039 19232 1192 1 5 . 1 1 136 136 GLN H H 136 8.825 8.825 7.876 0.949 19232 1193 1 5 . 1 1 137 137 TRP N N 137 120.200 120.200 119.533 0.667 19232 1194 1 5 . 1 1 137 137 TRP H H 137 8.385 8.385 7.493 0.892 19232 1195 1 5 . 1 1 138 138 GLY N N 138 107.300 107.300 107.416 -0.116 19232 1196 1 5 . 1 1 138 138 GLY H H 138 8.400 8.400 8.182 0.218 19232 1197 1 5 . 1 1 139 139 GLY N N 139 101.600 101.600 109.089 -7.489 19232 1198 1 5 . 1 1 139 139 GLY H H 139 8.400 8.400 7.778 0.622 19232 1199 1 5 . 1 1 140 140 THR N N 140 107.900 107.900 113.825 -5.925 19232 1200 1 5 . 1 1 140 140 THR H H 140 8.495 8.495 8.469 0.026 19232 1201 1 5 . 1 1 141 141 SER N N 141 120.200 120.200 116.041 4.159 19232 1202 1 5 . 1 1 141 141 SER H H 141 9.350 9.350 8.550 0.800 19232 1203 1 5 . 1 1 142 142 GLY N N 142 105.800 105.800 107.707 -1.907 19232 1204 1 5 . 1 1 142 142 GLY H H 142 7.880 7.880 8.326 -0.446 19232 1205 1 5 . 1 1 143 143 GLN N N 143 123.100 123.100 117.217 5.883 19232 1206 1 5 . 1 1 143 143 GLN H H 143 7.350 7.350 7.732 -0.382 19232 1207 1 5 . 1 1 145 145 LEU N N 145 118.500 118.500 115.107 3.393 19232 1208 1 5 . 1 1 145 145 LEU H H 145 8.130 8.130 7.736 0.394 19232 1209 1 5 . 1 1 146 146 VAL N N 146 116.600 116.600 113.746 2.854 19232 1210 1 5 . 1 1 146 146 VAL H H 146 6.550 6.550 7.616 -1.066 19232 1211 1 5 . 1 1 147 147 THR N N 147 117.400 117.400 110.023 7.377 19232 1212 1 5 . 1 1 147 147 THR H H 147 8.355 8.355 7.439 0.916 19232 1213 1 5 . 1 1 148 148 GLY N N 148 113.700 113.700 110.913 2.787 19232 1214 1 5 . 1 1 148 148 GLY H H 148 8.970 8.970 7.644 1.326 19232 1215 1 5 . 1 1 149 149 ILE N N 149 121.700 121.700 122.803 -1.103 19232 1216 1 5 . 1 1 149 149 ILE H H 149 7.865 7.865 7.560 0.305 19232 1217 1 5 . 1 1 150 150 VAL N N 150 125.800 125.800 119.136 6.664 19232 1218 1 5 . 1 1 150 150 VAL H H 150 8.120 8.120 7.850 0.270 19232 1219 1 5 . 1 1 151 151 PHE N N 151 118.300 118.300 120.503 -2.203 19232 1220 1 5 . 1 1 151 151 PHE H H 151 7.965 7.965 7.474 0.491 19232 1221 1 5 . 1 1 152 152 GLU N N 152 118.100 118.100 126.184 -8.084 19232 1222 1 5 . 1 1 152 152 GLU H H 152 9.530 9.530 7.959 1.571 19232 1223 1 5 . 1 1 158 158 VAL N N 158 126.000 126.000 114.955 11.045 19232 1224 1 5 . 1 1 158 158 VAL H H 158 8.200 8.200 7.182 1.018 19232 1225 1 5 . 1 1 159 159 GLY N N 159 113.000 113.000 110.091 2.909 19232 1226 1 5 . 1 1 159 159 GLY H H 159 8.440 8.440 8.415 0.025 19232 1227 1 5 . 1 1 160 160 GLU N N 160 120.700 120.700 121.115 -0.415 19232 1228 1 5 . 1 1 160 160 GLU H H 160 8.270 8.270 8.512 -0.242 19232 1229 1 5 . 1 1 162 162 VAL N N 162 120.000 120.000 114.954 5.046 19232 1230 1 5 . 1 1 162 162 VAL H H 162 7.960 7.960 8.098 -0.138 19232 1231 1 6 . 1 1 18 18 SER N N 18 122.200 122.200 120.722 1.478 19232 1232 1 6 . 1 1 18 18 SER H H 18 8.786 8.786 7.820 0.966 19232 1233 1 6 . 1 1 19 19 TYR N N 19 115.700 115.700 126.290 -10.590 19232 1234 1 6 . 1 1 19 19 TYR H H 19 8.135 8.135 8.794 -0.659 19232 1235 1 6 . 1 1 20 20 ASP N N 20 126.400 126.400 125.633 0.767 19232 1236 1 6 . 1 1 20 20 ASP H H 20 9.595 9.595 8.070 1.525 19232 1237 1 6 . 1 1 22 22 THR N N 22 113.200 113.200 118.577 -5.377 19232 1238 1 6 . 1 1 22 22 THR H H 22 8.875 8.875 8.269 0.606 19232 1239 1 6 . 1 1 23 23 LEU N N 23 122.800 122.800 124.896 -2.096 19232 1240 1 6 . 1 1 23 23 LEU H H 23 6.765 6.765 8.738 -1.973 19232 1241 1 6 . 1 1 26 26 ASP N N 26 123.500 123.500 113.027 10.473 19232 1242 1 6 . 1 1 26 26 ASP H H 26 9.395 9.395 8.463 0.932 19232 1243 1 6 . 1 1 27 27 HIS N N 27 116.900 116.900 119.187 -2.287 19232 1244 1 6 . 1 1 27 27 HIS H H 27 7.965 7.965 8.270 -0.305 19232 1245 1 6 . 1 1 28 28 ILE N N 28 113.200 113.200 118.665 -5.465 19232 1246 1 6 . 1 1 28 28 ILE H H 28 8.115 8.115 7.021 1.094 19232 1247 1 6 . 1 1 29 29 LYS N N 29 123.200 123.200 125.197 -1.997 19232 1248 1 6 . 1 1 29 29 LYS H H 29 8.610 8.610 8.295 0.315 19232 1249 1 6 . 1 1 30 30 VAL N N 30 122.300 122.300 117.223 5.077 19232 1250 1 6 . 1 1 30 30 VAL H H 30 8.130 8.130 7.254 0.876 19232 1251 1 6 . 1 1 31 31 TYR N N 31 124.000 124.000 113.510 10.490 19232 1252 1 6 . 1 1 31 31 TYR H H 31 8.520 8.520 7.235 1.285 19232 1253 1 6 . 1 1 32 32 SER N N 32 117.600 117.600 118.847 -1.247 19232 1254 1 6 . 1 1 32 32 SER H H 32 7.295 7.295 7.972 -0.677 19232 1255 1 6 . 1 1 33 33 ARG N N 33 125.000 125.000 127.610 -2.610 19232 1256 1 6 . 1 1 33 33 ARG H H 33 9.485 9.485 8.504 0.981 19232 1257 1 6 . 1 1 34 34 THR N N 34 119.400 119.400 115.833 3.567 19232 1258 1 6 . 1 1 34 34 THR H H 34 9.235 9.235 7.762 1.473 19232 1259 1 6 . 1 1 35 35 LEU N N 35 126.200 126.200 121.837 4.363 19232 1260 1 6 . 1 1 35 35 LEU H H 35 9.510 9.510 8.822 0.688 19232 1261 1 6 . 1 1 36 36 PHE N N 36 124.000 124.000 128.017 -4.017 19232 1262 1 6 . 1 1 36 36 PHE H H 36 8.820 8.820 8.784 0.036 19232 1263 1 6 . 1 1 37 37 ILE N N 37 127.200 127.200 124.696 2.504 19232 1264 1 6 . 1 1 37 37 ILE H H 37 8.260 8.260 7.973 0.287 19232 1265 1 6 . 1 1 38 38 GLY N N 38 112.400 112.400 109.852 2.548 19232 1266 1 6 . 1 1 38 38 GLY H H 38 8.670 8.670 7.956 0.714 19232 1267 1 6 . 1 1 39 39 GLY N N 39 108.300 108.300 108.114 0.186 19232 1268 1 6 . 1 1 39 39 GLY H H 39 8.360 8.360 8.162 0.198 19232 1269 1 6 . 1 1 40 40 VAL N N 40 121.200 121.200 118.244 2.956 19232 1270 1 6 . 1 1 40 40 VAL H H 40 7.380 7.380 7.413 -0.033 19232 1271 1 6 . 1 1 42 42 LEU N N 42 120.800 120.800 119.761 1.039 19232 1272 1 6 . 1 1 42 42 LEU H H 42 8.225 8.225 7.453 0.772 19232 1273 1 6 . 1 1 43 43 ASN N N 43 112.300 112.300 122.820 -10.520 19232 1274 1 6 . 1 1 43 43 ASN H H 43 7.980 7.980 8.745 -0.765 19232 1275 1 6 . 1 1 44 44 MET N N 44 122.000 122.000 117.166 4.834 19232 1276 1 6 . 1 1 44 44 MET H H 44 7.470 7.470 7.786 -0.316 19232 1277 1 6 . 1 1 45 45 LYS N N 45 124.100 124.100 119.873 4.227 19232 1278 1 6 . 1 1 45 45 LYS H H 45 8.945 8.945 7.896 1.049 19232 1279 1 6 . 1 1 46 46 GLU N N 46 122.400 122.400 126.791 -4.391 19232 1280 1 6 . 1 1 46 46 GLU H H 46 9.985 9.985 8.993 0.992 19232 1281 1 6 . 1 1 47 47 TRP N N 47 115.200 115.200 118.342 -3.142 19232 1282 1 6 . 1 1 47 47 TRP H H 47 7.840 7.840 8.184 -0.344 19232 1283 1 6 . 1 1 48 48 ASP N N 48 118.900 118.900 119.425 -0.525 19232 1284 1 6 . 1 1 48 48 ASP H H 48 6.700 6.700 7.774 -1.074 19232 1285 1 6 . 1 1 49 49 LEU N N 49 120.300 120.300 119.823 0.477 19232 1286 1 6 . 1 1 49 49 LEU H H 49 7.555 7.555 7.569 -0.014 19232 1287 1 6 . 1 1 50 50 ALA N N 50 118.800 118.800 121.363 -2.563 19232 1288 1 6 . 1 1 50 50 ALA H H 50 7.705 7.705 7.531 0.174 19232 1289 1 6 . 1 1 51 51 ASN N N 51 115.900 115.900 115.547 0.353 19232 1290 1 6 . 1 1 51 51 ASN H H 51 7.805 7.805 7.703 0.102 19232 1291 1 6 . 1 1 52 52 VAL N N 52 116.000 116.000 113.700 2.300 19232 1292 1 6 . 1 1 52 52 VAL H H 52 7.855 7.855 7.344 0.511 19232 1293 1 6 . 1 1 53 53 LEU N N 53 116.700 116.700 120.196 -3.496 19232 1294 1 6 . 1 1 53 53 LEU H H 53 6.925 6.925 7.317 -0.392 19232 1295 1 6 . 1 1 54 54 LYS N N 54 122.400 122.400 121.763 0.637 19232 1296 1 6 . 1 1 54 54 LYS H H 54 7.120 7.120 7.586 -0.466 19232 1297 1 6 . 1 1 56 56 PHE N N 56 113.000 113.000 117.438 -4.438 19232 1298 1 6 . 1 1 56 56 PHE H H 56 8.285 8.285 8.002 0.283 19232 1299 1 6 . 1 1 57 57 ALA N N 57 119.300 119.300 118.823 0.477 19232 1300 1 6 . 1 1 57 57 ALA H H 57 8.155 8.155 7.288 0.867 19232 1301 1 6 . 1 1 58 58 GLU N N 58 119.300 119.300 120.417 -1.117 19232 1302 1 6 . 1 1 58 58 GLU H H 58 8.130 8.130 8.718 -0.588 19232 1303 1 6 . 1 1 59 59 VAL N N 59 124.200 124.200 121.567 2.633 19232 1304 1 6 . 1 1 59 59 VAL H H 59 7.800 7.800 7.788 0.012 19232 1305 1 6 . 1 1 60 60 GLN N N 60 130.300 130.300 126.601 3.699 19232 1306 1 6 . 1 1 60 60 GLN H H 60 8.720 8.720 8.343 0.377 19232 1307 1 6 . 1 1 61 61 SER N N 61 111.000 111.000 116.812 -5.812 19232 1308 1 6 . 1 1 61 61 SER H H 61 7.560 7.560 7.853 -0.293 19232 1309 1 6 . 1 1 62 62 VAL N N 62 121.900 121.900 125.054 -3.154 19232 1310 1 6 . 1 1 62 62 VAL H H 62 8.310 8.310 8.561 -0.251 19232 1311 1 6 . 1 1 63 63 ILE N N 63 127.700 127.700 127.203 0.497 19232 1312 1 6 . 1 1 63 63 ILE H H 63 8.735 8.735 9.148 -0.413 19232 1313 1 6 . 1 1 64 64 LEU N N 64 130.400 130.400 129.163 1.237 19232 1314 1 6 . 1 1 64 64 LEU H H 64 9.160 9.160 8.759 0.401 19232 1315 1 6 . 1 1 69 69 LYS N N 69 116.400 116.400 117.248 -0.848 19232 1316 1 6 . 1 1 69 69 LYS H H 69 7.665 7.665 8.254 -0.589 19232 1317 1 6 . 1 1 70 70 HIS N N 70 113.800 113.800 116.934 -3.134 19232 1318 1 6 . 1 1 70 70 HIS H H 70 7.510 7.510 7.389 0.121 19232 1319 1 6 . 1 1 71 71 ALA N N 71 120.500 120.500 122.680 -2.180 19232 1320 1 6 . 1 1 71 71 ALA H H 71 8.745 8.745 8.610 0.135 19232 1321 1 6 . 1 1 72 72 PHE N N 72 118.100 118.100 119.037 -0.937 19232 1322 1 6 . 1 1 72 72 PHE H H 72 8.685 8.685 9.032 -0.347 19232 1323 1 6 . 1 1 73 73 VAL N N 73 125.900 125.900 115.314 10.586 19232 1324 1 6 . 1 1 73 73 VAL H H 73 9.425 9.425 9.228 0.197 19232 1325 1 6 . 1 1 74 74 LYS N N 74 129.700 129.700 122.577 7.123 19232 1326 1 6 . 1 1 74 74 LYS H H 74 8.725 8.725 8.690 0.035 19232 1327 1 6 . 1 1 75 75 VAL N N 75 118.800 118.800 120.267 -1.467 19232 1328 1 6 . 1 1 75 75 VAL H H 75 8.385 8.385 8.417 -0.032 19232 1329 1 6 . 1 1 76 76 TYR N N 76 114.800 114.800 124.014 -9.214 19232 1330 1 6 . 1 1 76 76 TYR H H 76 6.995 6.995 9.071 -2.076 19232 1331 1 6 . 1 1 77 77 SER N N 77 107.200 107.200 114.338 -7.138 19232 1332 1 6 . 1 1 77 77 SER H H 77 7.150 7.150 7.533 -0.383 19232 1333 1 6 . 1 1 78 78 ARG N N 78 124.900 124.900 124.769 0.131 19232 1334 1 6 . 1 1 78 78 ARG H H 78 9.225 9.225 8.946 0.279 19232 1335 1 6 . 1 1 79 79 HIS N N 79 119.900 119.900 117.270 2.630 19232 1336 1 6 . 1 1 79 79 HIS H H 79 9.105 9.105 7.775 1.330 19232 1337 1 6 . 1 1 80 80 GLU N N 80 118.200 118.200 119.769 -1.569 19232 1338 1 6 . 1 1 80 80 GLU H H 80 7.690 7.690 7.729 -0.039 19232 1339 1 6 . 1 1 81 81 ALA N N 81 123.500 123.500 122.489 1.011 19232 1340 1 6 . 1 1 81 81 ALA H H 81 7.695 7.695 7.524 0.171 19232 1341 1 6 . 1 1 82 82 GLU N N 82 116.400 116.400 117.722 -1.322 19232 1342 1 6 . 1 1 82 82 GLU H H 82 8.450 8.450 7.919 0.531 19232 1343 1 6 . 1 1 83 83 ASN N N 83 118.500 118.500 117.413 1.087 19232 1344 1 6 . 1 1 83 83 ASN H H 83 7.835 7.835 7.811 0.024 19232 1345 1 6 . 1 1 84 84 VAL N N 84 118.300 118.300 121.285 -2.985 19232 1346 1 6 . 1 1 84 84 VAL H H 84 7.785 7.785 7.345 0.440 19232 1347 1 6 . 1 1 85 85 LEU N N 85 119.400 119.400 117.644 1.756 19232 1348 1 6 . 1 1 85 85 LEU H H 85 7.590 7.590 7.511 0.080 19232 1349 1 6 . 1 1 86 86 GLN N N 86 113.600 113.600 116.380 -2.780 19232 1350 1 6 . 1 1 86 86 GLN H H 86 7.985 7.985 7.570 0.415 19232 1351 1 6 . 1 1 87 87 ASN N N 87 112.000 112.000 117.297 -5.297 19232 1352 1 6 . 1 1 87 87 ASN H H 87 7.545 7.545 7.478 0.067 19232 1353 1 6 . 1 1 88 88 PHE N N 88 121.900 121.900 118.855 3.045 19232 1354 1 6 . 1 1 88 88 PHE H H 88 8.265 8.265 7.604 0.661 19232 1355 1 6 . 1 1 89 89 ASN N N 89 126.900 126.900 116.084 10.816 19232 1356 1 6 . 1 1 89 89 ASN H H 89 8.515 8.515 7.747 0.768 19232 1357 1 6 . 1 1 90 90 LYS N N 90 119.900 119.900 118.684 1.216 19232 1358 1 6 . 1 1 90 90 LYS H H 90 7.655 7.655 7.550 0.105 19232 1359 1 6 . 1 1 91 91 ASP N N 91 115.600 115.600 118.659 -3.059 19232 1360 1 6 . 1 1 91 91 ASP H H 91 8.050 8.050 7.717 0.333 19232 1361 1 6 . 1 1 92 92 GLY N N 92 108.400 108.400 107.480 0.920 19232 1362 1 6 . 1 1 92 92 GLY H H 92 7.425 7.425 8.586 -1.161 19232 1363 1 6 . 1 1 93 93 ALA N N 93 122.000 122.000 121.133 0.867 19232 1364 1 6 . 1 1 93 93 ALA H H 93 7.545 7.545 7.747 -0.202 19232 1365 1 6 . 1 1 94 94 LEU N N 94 115.600 115.600 121.677 -6.077 19232 1366 1 6 . 1 1 94 94 LEU H H 94 8.455 8.455 7.835 0.620 19232 1367 1 6 . 1 1 96 96 LEU N N 96 115.700 115.700 120.509 -4.809 19232 1368 1 6 . 1 1 96 96 LEU H H 96 5.775 5.775 7.439 -1.664 19232 1369 1 6 . 1 1 97 97 ARG N N 97 123.300 123.300 124.250 -0.950 19232 1370 1 6 . 1 1 97 97 ARG H H 97 8.290 8.290 8.789 -0.499 19232 1371 1 6 . 1 1 98 98 THR N N 98 120.000 120.000 117.488 2.512 19232 1372 1 6 . 1 1 98 98 THR H H 98 8.280 8.280 7.431 0.849 19232 1373 1 6 . 1 1 99 99 ARG N N 99 122.300 122.300 123.346 -1.046 19232 1374 1 6 . 1 1 99 99 ARG H H 99 9.005 9.005 8.470 0.535 19232 1375 1 6 . 1 1 100 100 TRP N N 100 120.100 120.100 122.811 -2.711 19232 1376 1 6 . 1 1 100 100 TRP H H 100 8.325 8.325 8.343 -0.018 19232 1377 1 6 . 1 1 101 101 GLY N N 101 107.300 107.300 109.174 -1.874 19232 1378 1 6 . 1 1 101 101 GLY H H 101 8.940 8.940 8.486 0.454 19232 1379 1 6 . 1 1 102 102 VAL N N 102 119.800 119.800 122.197 -2.397 19232 1380 1 6 . 1 1 102 102 VAL H H 102 8.130 8.130 7.682 0.448 19232 1381 1 6 . 1 1 103 103 GLY N N 103 117.200 117.200 116.989 0.211 19232 1382 1 6 . 1 1 103 103 GLY H H 103 9.440 9.440 8.314 1.126 19232 1383 1 6 . 1 1 104 104 PHE N N 104 120.600 120.600 124.381 -3.781 19232 1384 1 6 . 1 1 104 104 PHE H H 104 7.280 7.280 8.499 -1.219 19232 1385 1 6 . 1 1 105 105 GLY N N 105 117.100 117.100 113.931 3.169 19232 1386 1 6 . 1 1 105 105 GLY H H 105 8.565 8.565 8.103 0.462 19232 1387 1 6 . 1 1 109 109 CYS N N 109 115.300 115.300 122.894 -7.594 19232 1388 1 6 . 1 1 109 109 CYS H H 109 6.915 6.915 8.926 -2.011 19232 1389 1 6 . 1 1 110 110 CYS N N 110 119.000 119.000 120.857 -1.857 19232 1390 1 6 . 1 1 110 110 CYS H H 110 7.130 7.130 8.916 -1.786 19232 1391 1 6 . 1 1 111 111 ASP N N 111 128.800 128.800 119.421 9.379 19232 1392 1 6 . 1 1 111 111 ASP H H 111 8.245 8.245 7.858 0.387 19232 1393 1 6 . 1 1 112 112 TYR N N 112 124.400 124.400 124.679 -0.279 19232 1394 1 6 . 1 1 112 112 TYR H H 112 8.425 8.425 8.847 -0.422 19232 1395 1 6 . 1 1 113 113 GLN N N 113 117.900 117.900 118.930 -1.030 19232 1396 1 6 . 1 1 113 113 GLN H H 113 8.065 8.065 8.306 -0.241 19232 1397 1 6 . 1 1 114 114 HIS N N 114 114.200 114.200 110.076 4.124 19232 1398 1 6 . 1 1 114 114 HIS H H 114 6.925 6.925 7.216 -0.291 19232 1399 1 6 . 1 1 115 115 GLY N N 115 109.200 109.200 109.386 -0.186 19232 1400 1 6 . 1 1 115 115 GLY H H 115 8.430 8.430 7.101 1.329 19232 1401 1 6 . 1 1 116 116 TYR N N 116 115.800 115.800 120.375 -4.575 19232 1402 1 6 . 1 1 116 116 TYR H H 116 6.695 6.695 7.338 -0.643 19232 1403 1 6 . 1 1 117 117 SER N N 117 116.200 116.200 113.839 2.361 19232 1404 1 6 . 1 1 117 117 SER H H 117 8.745 8.745 7.391 1.353 19232 1405 1 6 . 1 1 118 118 ILE N N 118 126.500 126.500 122.733 3.767 19232 1406 1 6 . 1 1 118 118 ILE H H 118 7.560 7.560 8.100 -0.540 19232 1407 1 6 . 1 1 121 121 MET N N 121 124.000 124.000 118.450 5.550 19232 1408 1 6 . 1 1 121 121 MET H H 121 8.885 8.885 8.716 0.169 19232 1409 1 6 . 1 1 122 122 HIS N N 122 113.700 113.700 120.862 -7.162 19232 1410 1 6 . 1 1 122 122 HIS H H 122 7.855 7.855 8.589 -0.734 19232 1411 1 6 . 1 1 123 123 ARG N N 123 117.500 117.500 119.526 -2.026 19232 1412 1 6 . 1 1 123 123 ARG H H 123 7.320 7.320 7.923 -0.603 19232 1413 1 6 . 1 1 124 124 LEU N N 124 119.300 119.300 120.670 -1.370 19232 1414 1 6 . 1 1 124 124 LEU H H 124 7.120 7.120 7.375 -0.255 19232 1415 1 6 . 1 1 125 125 THR N N 125 116.000 116.000 109.358 6.642 19232 1416 1 6 . 1 1 125 125 THR H H 125 9.485 9.485 7.515 1.970 19232 1417 1 6 . 1 1 126 126 ASP N N 126 121.700 121.700 122.938 -1.238 19232 1418 1 6 . 1 1 126 126 ASP H H 126 8.750 8.750 7.517 1.233 19232 1419 1 6 . 1 1 127 127 ALA N N 127 123.300 123.300 118.535 4.765 19232 1420 1 6 . 1 1 127 127 ALA H H 127 8.105 8.105 7.580 0.525 19232 1421 1 6 . 1 1 128 128 ASP N N 128 118.700 118.700 118.025 0.675 19232 1422 1 6 . 1 1 128 128 ASP H H 128 7.675 7.675 7.759 -0.084 19232 1423 1 6 . 1 1 129 129 LYS N N 129 120.100 120.100 118.966 1.134 19232 1424 1 6 . 1 1 129 129 LYS H H 129 7.985 7.985 7.540 0.445 19232 1425 1 6 . 1 1 130 130 LYS N N 130 121.500 121.500 119.681 1.819 19232 1426 1 6 . 1 1 130 130 LYS H H 130 7.705 7.705 7.450 0.255 19232 1427 1 6 . 1 1 131 131 TRP N N 131 122.200 122.200 119.153 3.047 19232 1428 1 6 . 1 1 131 131 TRP H H 131 8.905 8.905 7.437 1.468 19232 1429 1 6 . 1 1 132 132 SER N N 132 111.800 111.800 113.373 -1.573 19232 1430 1 6 . 1 1 132 132 SER H H 132 7.880 7.880 7.978 -0.098 19232 1431 1 6 . 1 1 133 133 VAL N N 133 110.900 110.900 114.823 -3.923 19232 1432 1 6 . 1 1 133 133 VAL H H 133 6.685 6.685 7.406 -0.721 19232 1433 1 6 . 1 1 134 134 SER N N 134 112.900 112.900 119.682 -6.782 19232 1434 1 6 . 1 1 134 134 SER H H 134 7.495 7.495 8.039 -0.544 19232 1435 1 6 . 1 1 135 135 ALA N N 135 125.800 125.800 122.908 2.892 19232 1436 1 6 . 1 1 135 135 ALA H H 135 7.735 7.735 7.857 -0.122 19232 1437 1 6 . 1 1 136 136 GLN N N 136 118.500 118.500 121.906 -3.406 19232 1438 1 6 . 1 1 136 136 GLN H H 136 8.825 8.825 8.849 -0.024 19232 1439 1 6 . 1 1 137 137 TRP N N 137 120.200 120.200 118.935 1.265 19232 1440 1 6 . 1 1 137 137 TRP H H 137 8.385 8.385 8.274 0.111 19232 1441 1 6 . 1 1 138 138 GLY N N 138 107.300 107.300 108.948 -1.648 19232 1442 1 6 . 1 1 138 138 GLY H H 138 8.400 8.400 7.631 0.769 19232 1443 1 6 . 1 1 139 139 GLY N N 139 101.600 101.600 105.861 -4.261 19232 1444 1 6 . 1 1 139 139 GLY H H 139 8.400 8.400 8.817 -0.417 19232 1445 1 6 . 1 1 140 140 THR N N 140 107.900 107.900 112.259 -4.359 19232 1446 1 6 . 1 1 140 140 THR H H 140 8.495 8.495 8.193 0.302 19232 1447 1 6 . 1 1 141 141 SER N N 141 120.200 120.200 113.967 6.233 19232 1448 1 6 . 1 1 141 141 SER H H 141 9.350 9.350 7.942 1.408 19232 1449 1 6 . 1 1 142 142 GLY N N 142 105.800 105.800 109.903 -4.103 19232 1450 1 6 . 1 1 142 142 GLY H H 142 7.880 7.880 8.142 -0.262 19232 1451 1 6 . 1 1 143 143 GLN N N 143 123.100 123.100 117.645 5.455 19232 1452 1 6 . 1 1 143 143 GLN H H 143 7.350 7.350 7.821 -0.471 19232 1453 1 6 . 1 1 145 145 LEU N N 145 118.500 118.500 114.789 3.711 19232 1454 1 6 . 1 1 145 145 LEU H H 145 8.130 8.130 7.655 0.475 19232 1455 1 6 . 1 1 146 146 VAL N N 146 116.600 116.600 113.102 3.498 19232 1456 1 6 . 1 1 146 146 VAL H H 146 6.550 6.550 7.602 -1.052 19232 1457 1 6 . 1 1 147 147 THR N N 147 117.400 117.400 109.610 7.790 19232 1458 1 6 . 1 1 147 147 THR H H 147 8.355 8.355 7.422 0.933 19232 1459 1 6 . 1 1 148 148 GLY N N 148 113.700 113.700 108.343 5.357 19232 1460 1 6 . 1 1 148 148 GLY H H 148 8.970 8.970 7.533 1.437 19232 1461 1 6 . 1 1 149 149 ILE N N 149 121.700 121.700 125.876 -4.176 19232 1462 1 6 . 1 1 149 149 ILE H H 149 7.865 7.865 7.547 0.318 19232 1463 1 6 . 1 1 150 150 VAL N N 150 125.800 125.800 121.488 4.312 19232 1464 1 6 . 1 1 150 150 VAL H H 150 8.120 8.120 8.057 0.063 19232 1465 1 6 . 1 1 151 151 PHE N N 151 118.300 118.300 120.783 -2.483 19232 1466 1 6 . 1 1 151 151 PHE H H 151 7.965 7.965 8.405 -0.440 19232 1467 1 6 . 1 1 152 152 GLU N N 152 118.100 118.100 118.126 -0.026 19232 1468 1 6 . 1 1 152 152 GLU H H 152 9.530 9.530 7.838 1.692 19232 1469 1 6 . 1 1 158 158 VAL N N 158 126.000 126.000 117.644 8.356 19232 1470 1 6 . 1 1 158 158 VAL H H 158 8.200 8.200 8.037 0.163 19232 1471 1 6 . 1 1 159 159 GLY N N 159 113.000 113.000 110.527 2.473 19232 1472 1 6 . 1 1 159 159 GLY H H 159 8.440 8.440 8.538 -0.098 19232 1473 1 6 . 1 1 160 160 GLU N N 160 120.700 120.700 119.156 1.544 19232 1474 1 6 . 1 1 160 160 GLU H H 160 8.270 8.270 7.929 0.341 19232 1475 1 6 . 1 1 162 162 VAL N N 162 120.000 120.000 119.691 0.309 19232 1476 1 6 . 1 1 162 162 VAL H H 162 7.960 7.960 8.048 -0.088 19232 1477 1 7 . 1 1 18 18 SER N N 18 122.200 122.200 111.442 10.758 19232 1478 1 7 . 1 1 18 18 SER H H 18 8.786 8.786 7.482 1.304 19232 1479 1 7 . 1 1 19 19 TYR N N 19 115.700 115.700 125.301 -9.601 19232 1480 1 7 . 1 1 19 19 TYR H H 19 8.135 8.135 8.906 -0.771 19232 1481 1 7 . 1 1 20 20 ASP N N 20 126.400 126.400 116.132 10.268 19232 1482 1 7 . 1 1 20 20 ASP H H 20 9.595 9.595 8.010 1.585 19232 1483 1 7 . 1 1 22 22 THR N N 22 113.200 113.200 116.036 -2.836 19232 1484 1 7 . 1 1 22 22 THR H H 22 8.875 8.875 8.452 0.423 19232 1485 1 7 . 1 1 23 23 LEU N N 23 122.800 122.800 122.376 0.424 19232 1486 1 7 . 1 1 23 23 LEU H H 23 6.765 6.765 8.000 -1.235 19232 1487 1 7 . 1 1 26 26 ASP N N 26 123.500 123.500 118.723 4.777 19232 1488 1 7 . 1 1 26 26 ASP H H 26 9.395 9.395 8.026 1.369 19232 1489 1 7 . 1 1 27 27 HIS N N 27 116.900 116.900 123.546 -6.646 19232 1490 1 7 . 1 1 27 27 HIS H H 27 7.965 7.965 8.206 -0.241 19232 1491 1 7 . 1 1 28 28 ILE N N 28 113.200 113.200 121.222 -8.022 19232 1492 1 7 . 1 1 28 28 ILE H H 28 8.115 8.115 8.575 -0.460 19232 1493 1 7 . 1 1 29 29 LYS N N 29 123.200 123.200 125.270 -2.070 19232 1494 1 7 . 1 1 29 29 LYS H H 29 8.610 8.610 8.812 -0.202 19232 1495 1 7 . 1 1 30 30 VAL N N 30 122.300 122.300 112.834 9.466 19232 1496 1 7 . 1 1 30 30 VAL H H 30 8.130 8.130 7.516 0.614 19232 1497 1 7 . 1 1 31 31 TYR N N 31 124.000 124.000 122.180 1.820 19232 1498 1 7 . 1 1 31 31 TYR H H 31 8.520 8.520 7.568 0.952 19232 1499 1 7 . 1 1 32 32 SER N N 32 117.600 117.600 121.750 -4.150 19232 1500 1 7 . 1 1 32 32 SER H H 32 7.295 7.295 8.260 -0.965 19232 1501 1 7 . 1 1 33 33 ARG N N 33 125.000 125.000 127.086 -2.086 19232 1502 1 7 . 1 1 33 33 ARG H H 33 9.485 9.485 8.518 0.967 19232 1503 1 7 . 1 1 34 34 THR N N 34 119.400 119.400 112.743 6.657 19232 1504 1 7 . 1 1 34 34 THR H H 34 9.235 9.235 8.497 0.738 19232 1505 1 7 . 1 1 35 35 LEU N N 35 126.200 126.200 124.455 1.745 19232 1506 1 7 . 1 1 35 35 LEU H H 35 9.510 9.510 7.872 1.638 19232 1507 1 7 . 1 1 36 36 PHE N N 36 124.000 124.000 128.211 -4.211 19232 1508 1 7 . 1 1 36 36 PHE H H 36 8.820 8.820 9.266 -0.446 19232 1509 1 7 . 1 1 37 37 ILE N N 37 127.200 127.200 125.737 1.463 19232 1510 1 7 . 1 1 37 37 ILE H H 37 8.260 8.260 7.944 0.316 19232 1511 1 7 . 1 1 38 38 GLY N N 38 112.400 112.400 109.831 2.569 19232 1512 1 7 . 1 1 38 38 GLY H H 38 8.670 8.670 8.797 -0.127 19232 1513 1 7 . 1 1 39 39 GLY N N 39 108.300 108.300 107.952 0.348 19232 1514 1 7 . 1 1 39 39 GLY H H 39 8.360 8.360 8.730 -0.370 19232 1515 1 7 . 1 1 40 40 VAL N N 40 121.200 121.200 117.366 3.834 19232 1516 1 7 . 1 1 40 40 VAL H H 40 7.380 7.380 7.800 -0.420 19232 1517 1 7 . 1 1 42 42 LEU N N 42 120.800 120.800 117.490 3.310 19232 1518 1 7 . 1 1 42 42 LEU H H 42 8.225 8.225 7.426 0.799 19232 1519 1 7 . 1 1 43 43 ASN N N 43 112.300 112.300 120.344 -8.044 19232 1520 1 7 . 1 1 43 43 ASN H H 43 7.980 7.980 8.743 -0.763 19232 1521 1 7 . 1 1 44 44 MET N N 44 122.000 122.000 116.529 5.471 19232 1522 1 7 . 1 1 44 44 MET H H 44 7.470 7.470 7.856 -0.386 19232 1523 1 7 . 1 1 45 45 LYS N N 45 124.100 124.100 119.970 4.130 19232 1524 1 7 . 1 1 45 45 LYS H H 45 8.945 8.945 7.790 1.155 19232 1525 1 7 . 1 1 46 46 GLU N N 46 122.400 122.400 125.494 -3.094 19232 1526 1 7 . 1 1 46 46 GLU H H 46 9.985 9.985 8.813 1.172 19232 1527 1 7 . 1 1 47 47 TRP N N 47 115.200 115.200 117.942 -2.742 19232 1528 1 7 . 1 1 47 47 TRP H H 47 7.840 7.840 7.810 0.030 19232 1529 1 7 . 1 1 48 48 ASP N N 48 118.900 118.900 118.699 0.201 19232 1530 1 7 . 1 1 48 48 ASP H H 48 6.700 6.700 7.635 -0.935 19232 1531 1 7 . 1 1 49 49 LEU N N 49 120.300 120.300 121.271 -0.971 19232 1532 1 7 . 1 1 49 49 LEU H H 49 7.555 7.555 7.521 0.034 19232 1533 1 7 . 1 1 50 50 ALA N N 50 118.800 118.800 120.345 -1.545 19232 1534 1 7 . 1 1 50 50 ALA H H 50 7.705 7.705 7.557 0.148 19232 1535 1 7 . 1 1 51 51 ASN N N 51 115.900 115.900 115.519 0.381 19232 1536 1 7 . 1 1 51 51 ASN H H 51 7.805 7.805 8.055 -0.250 19232 1537 1 7 . 1 1 52 52 VAL N N 52 116.000 116.000 113.873 2.127 19232 1538 1 7 . 1 1 52 52 VAL H H 52 7.855 7.855 7.232 0.623 19232 1539 1 7 . 1 1 53 53 LEU N N 53 116.700 116.700 118.678 -1.978 19232 1540 1 7 . 1 1 53 53 LEU H H 53 6.925 6.925 7.473 -0.548 19232 1541 1 7 . 1 1 54 54 LYS N N 54 122.400 122.400 120.959 1.441 19232 1542 1 7 . 1 1 54 54 LYS H H 54 7.120 7.120 7.561 -0.441 19232 1543 1 7 . 1 1 56 56 PHE N N 56 113.000 113.000 115.110 -2.110 19232 1544 1 7 . 1 1 56 56 PHE H H 56 8.285 8.285 8.262 0.023 19232 1545 1 7 . 1 1 57 57 ALA N N 57 119.300 119.300 119.602 -0.302 19232 1546 1 7 . 1 1 57 57 ALA H H 57 8.155 8.155 7.420 0.735 19232 1547 1 7 . 1 1 58 58 GLU N N 58 119.300 119.300 120.704 -1.404 19232 1548 1 7 . 1 1 58 58 GLU H H 58 8.130 8.130 8.648 -0.518 19232 1549 1 7 . 1 1 59 59 VAL N N 59 124.200 124.200 121.706 2.494 19232 1550 1 7 . 1 1 59 59 VAL H H 59 7.800 7.800 8.326 -0.526 19232 1551 1 7 . 1 1 60 60 GLN N N 60 130.300 130.300 126.404 3.896 19232 1552 1 7 . 1 1 60 60 GLN H H 60 8.720 8.720 8.644 0.076 19232 1553 1 7 . 1 1 61 61 SER N N 61 111.000 111.000 117.064 -6.064 19232 1554 1 7 . 1 1 61 61 SER H H 61 7.560 7.560 7.738 -0.178 19232 1555 1 7 . 1 1 62 62 VAL N N 62 121.900 121.900 125.661 -3.761 19232 1556 1 7 . 1 1 62 62 VAL H H 62 8.310 8.310 8.553 -0.243 19232 1557 1 7 . 1 1 63 63 ILE N N 63 127.700 127.700 124.324 3.376 19232 1558 1 7 . 1 1 63 63 ILE H H 63 8.735 8.735 8.905 -0.170 19232 1559 1 7 . 1 1 64 64 LEU N N 64 130.400 130.400 126.242 4.158 19232 1560 1 7 . 1 1 64 64 LEU H H 64 9.160 9.160 8.445 0.715 19232 1561 1 7 . 1 1 69 69 LYS N N 69 116.400 116.400 117.310 -0.910 19232 1562 1 7 . 1 1 69 69 LYS H H 69 7.665 7.665 8.265 -0.600 19232 1563 1 7 . 1 1 70 70 HIS N N 70 113.800 113.800 118.509 -4.709 19232 1564 1 7 . 1 1 70 70 HIS H H 70 7.510 7.510 7.421 0.089 19232 1565 1 7 . 1 1 71 71 ALA N N 71 120.500 120.500 128.434 -7.934 19232 1566 1 7 . 1 1 71 71 ALA H H 71 8.745 8.745 7.917 0.828 19232 1567 1 7 . 1 1 72 72 PHE N N 72 118.100 118.100 122.229 -4.129 19232 1568 1 7 . 1 1 72 72 PHE H H 72 8.685 8.685 8.685 0.000 19232 1569 1 7 . 1 1 73 73 VAL N N 73 125.900 125.900 117.753 8.147 19232 1570 1 7 . 1 1 73 73 VAL H H 73 9.425 9.425 8.342 1.083 19232 1571 1 7 . 1 1 74 74 LYS N N 74 129.700 129.700 121.753 7.947 19232 1572 1 7 . 1 1 74 74 LYS H H 74 8.725 8.725 8.461 0.264 19232 1573 1 7 . 1 1 75 75 VAL N N 75 118.800 118.800 122.522 -3.722 19232 1574 1 7 . 1 1 75 75 VAL H H 75 8.385 8.385 8.387 -0.002 19232 1575 1 7 . 1 1 76 76 TYR N N 76 114.800 114.800 123.914 -9.114 19232 1576 1 7 . 1 1 76 76 TYR H H 76 6.995 6.995 8.097 -1.102 19232 1577 1 7 . 1 1 77 77 SER N N 77 107.200 107.200 112.417 -5.217 19232 1578 1 7 . 1 1 77 77 SER H H 77 7.150 7.150 7.690 -0.540 19232 1579 1 7 . 1 1 78 78 ARG N N 78 124.900 124.900 124.500 0.400 19232 1580 1 7 . 1 1 78 78 ARG H H 78 9.225 9.225 8.948 0.277 19232 1581 1 7 . 1 1 79 79 HIS N N 79 119.900 119.900 118.256 1.644 19232 1582 1 7 . 1 1 79 79 HIS H H 79 9.105 9.105 7.782 1.323 19232 1583 1 7 . 1 1 80 80 GLU N N 80 118.200 118.200 119.887 -1.687 19232 1584 1 7 . 1 1 80 80 GLU H H 80 7.690 7.690 7.705 -0.015 19232 1585 1 7 . 1 1 81 81 ALA N N 81 123.500 123.500 122.519 0.981 19232 1586 1 7 . 1 1 81 81 ALA H H 81 7.695 7.695 7.483 0.212 19232 1587 1 7 . 1 1 82 82 GLU N N 82 116.400 116.400 118.026 -1.626 19232 1588 1 7 . 1 1 82 82 GLU H H 82 8.450 8.450 7.827 0.623 19232 1589 1 7 . 1 1 83 83 ASN N N 83 118.500 118.500 117.280 1.220 19232 1590 1 7 . 1 1 83 83 ASN H H 83 7.835 7.835 7.662 0.173 19232 1591 1 7 . 1 1 84 84 VAL N N 84 118.300 118.300 120.787 -2.487 19232 1592 1 7 . 1 1 84 84 VAL H H 84 7.785 7.785 7.489 0.296 19232 1593 1 7 . 1 1 85 85 LEU N N 85 119.400 119.400 118.444 0.956 19232 1594 1 7 . 1 1 85 85 LEU H H 85 7.590 7.590 8.347 -0.757 19232 1595 1 7 . 1 1 86 86 GLN N N 86 113.600 113.600 118.243 -4.643 19232 1596 1 7 . 1 1 86 86 GLN H H 86 7.985 7.985 7.721 0.264 19232 1597 1 7 . 1 1 87 87 ASN N N 87 112.000 112.000 119.261 -7.261 19232 1598 1 7 . 1 1 87 87 ASN H H 87 7.545 7.545 7.521 0.024 19232 1599 1 7 . 1 1 88 88 PHE N N 88 121.900 121.900 115.428 6.472 19232 1600 1 7 . 1 1 88 88 PHE H H 88 8.265 8.265 7.744 0.521 19232 1601 1 7 . 1 1 89 89 ASN N N 89 126.900 126.900 116.057 10.843 19232 1602 1 7 . 1 1 89 89 ASN H H 89 8.515 8.515 7.848 0.667 19232 1603 1 7 . 1 1 90 90 LYS N N 90 119.900 119.900 118.891 1.009 19232 1604 1 7 . 1 1 90 90 LYS H H 90 7.655 7.655 7.840 -0.185 19232 1605 1 7 . 1 1 91 91 ASP N N 91 115.600 115.600 119.891 -4.291 19232 1606 1 7 . 1 1 91 91 ASP H H 91 8.050 8.050 7.804 0.246 19232 1607 1 7 . 1 1 92 92 GLY N N 92 108.400 108.400 107.382 1.018 19232 1608 1 7 . 1 1 92 92 GLY H H 92 7.425 7.425 8.788 -1.363 19232 1609 1 7 . 1 1 93 93 ALA N N 93 122.000 122.000 121.155 0.845 19232 1610 1 7 . 1 1 93 93 ALA H H 93 7.545 7.545 8.044 -0.499 19232 1611 1 7 . 1 1 94 94 LEU N N 94 115.600 115.600 121.226 -5.626 19232 1612 1 7 . 1 1 94 94 LEU H H 94 8.455 8.455 7.837 0.618 19232 1613 1 7 . 1 1 96 96 LEU N N 96 115.700 115.700 121.243 -5.543 19232 1614 1 7 . 1 1 96 96 LEU H H 96 5.775 5.775 7.588 -1.813 19232 1615 1 7 . 1 1 97 97 ARG N N 97 123.300 123.300 124.538 -1.238 19232 1616 1 7 . 1 1 97 97 ARG H H 97 8.290 8.290 8.202 0.088 19232 1617 1 7 . 1 1 98 98 THR N N 98 120.000 120.000 116.526 3.474 19232 1618 1 7 . 1 1 98 98 THR H H 98 8.280 8.280 8.435 -0.155 19232 1619 1 7 . 1 1 99 99 ARG N N 99 122.300 122.300 127.643 -5.343 19232 1620 1 7 . 1 1 99 99 ARG H H 99 9.005 9.005 9.155 -0.150 19232 1621 1 7 . 1 1 100 100 TRP N N 100 120.100 120.100 124.755 -4.655 19232 1622 1 7 . 1 1 100 100 TRP H H 100 8.325 8.325 8.660 -0.335 19232 1623 1 7 . 1 1 101 101 GLY N N 101 107.300 107.300 107.538 -0.238 19232 1624 1 7 . 1 1 101 101 GLY H H 101 8.940 8.940 8.753 0.187 19232 1625 1 7 . 1 1 102 102 VAL N N 102 119.800 119.800 119.816 -0.016 19232 1626 1 7 . 1 1 102 102 VAL H H 102 8.130 8.130 8.322 -0.192 19232 1627 1 7 . 1 1 103 103 GLY N N 103 117.200 117.200 115.604 1.596 19232 1628 1 7 . 1 1 103 103 GLY H H 103 9.440 9.440 8.632 0.808 19232 1629 1 7 . 1 1 104 104 PHE N N 104 120.600 120.600 121.997 -1.397 19232 1630 1 7 . 1 1 104 104 PHE H H 104 7.280 7.280 7.728 -0.448 19232 1631 1 7 . 1 1 105 105 GLY N N 105 117.100 117.100 109.793 7.307 19232 1632 1 7 . 1 1 105 105 GLY H H 105 8.565 8.565 8.589 -0.024 19232 1633 1 7 . 1 1 109 109 CYS N N 109 115.300 115.300 124.295 -8.995 19232 1634 1 7 . 1 1 109 109 CYS H H 109 6.915 6.915 8.742 -1.827 19232 1635 1 7 . 1 1 110 110 CYS N N 110 119.000 119.000 121.236 -2.236 19232 1636 1 7 . 1 1 110 110 CYS H H 110 7.130 7.130 8.229 -1.099 19232 1637 1 7 . 1 1 111 111 ASP N N 111 128.800 128.800 123.900 4.900 19232 1638 1 7 . 1 1 111 111 ASP H H 111 8.245 8.245 8.656 -0.411 19232 1639 1 7 . 1 1 112 112 TYR N N 112 124.400 124.400 120.804 3.596 19232 1640 1 7 . 1 1 112 112 TYR H H 112 8.425 8.425 8.646 -0.221 19232 1641 1 7 . 1 1 113 113 GLN N N 113 117.900 117.900 118.119 -0.219 19232 1642 1 7 . 1 1 113 113 GLN H H 113 8.065 8.065 8.229 -0.164 19232 1643 1 7 . 1 1 114 114 HIS N N 114 114.200 114.200 116.595 -2.395 19232 1644 1 7 . 1 1 114 114 HIS H H 114 6.925 6.925 8.037 -1.112 19232 1645 1 7 . 1 1 115 115 GLY N N 115 109.200 109.200 107.459 1.741 19232 1646 1 7 . 1 1 115 115 GLY H H 115 8.430 8.430 7.758 0.672 19232 1647 1 7 . 1 1 116 116 TYR N N 116 115.800 115.800 124.603 -8.803 19232 1648 1 7 . 1 1 116 116 TYR H H 116 6.695 6.695 7.952 -1.257 19232 1649 1 7 . 1 1 117 117 SER N N 117 116.200 116.200 115.942 0.258 19232 1650 1 7 . 1 1 117 117 SER H H 117 8.745 8.745 7.900 0.845 19232 1651 1 7 . 1 1 118 118 ILE N N 118 126.500 126.500 121.234 5.266 19232 1652 1 7 . 1 1 118 118 ILE H H 118 7.560 7.560 8.357 -0.797 19232 1653 1 7 . 1 1 121 121 MET N N 121 124.000 124.000 115.469 8.531 19232 1654 1 7 . 1 1 121 121 MET H H 121 8.885 8.885 8.094 0.791 19232 1655 1 7 . 1 1 122 122 HIS N N 122 113.700 113.700 117.484 -3.784 19232 1656 1 7 . 1 1 122 122 HIS H H 122 7.855 7.855 7.711 0.144 19232 1657 1 7 . 1 1 123 123 ARG N N 123 117.500 117.500 120.617 -3.117 19232 1658 1 7 . 1 1 123 123 ARG H H 123 7.320 7.320 7.443 -0.123 19232 1659 1 7 . 1 1 124 124 LEU N N 124 119.300 119.300 119.259 0.041 19232 1660 1 7 . 1 1 124 124 LEU H H 124 7.120 7.120 7.295 -0.175 19232 1661 1 7 . 1 1 125 125 THR N N 125 116.000 116.000 113.738 2.262 19232 1662 1 7 . 1 1 125 125 THR H H 125 9.485 9.485 7.982 1.503 19232 1663 1 7 . 1 1 126 126 ASP N N 126 121.700 121.700 122.451 -0.751 19232 1664 1 7 . 1 1 126 126 ASP H H 126 8.750 8.750 7.674 1.076 19232 1665 1 7 . 1 1 127 127 ALA N N 127 123.300 123.300 119.424 3.876 19232 1666 1 7 . 1 1 127 127 ALA H H 127 8.105 8.105 7.421 0.684 19232 1667 1 7 . 1 1 128 128 ASP N N 128 118.700 118.700 117.637 1.063 19232 1668 1 7 . 1 1 128 128 ASP H H 128 7.675 7.675 7.773 -0.098 19232 1669 1 7 . 1 1 129 129 LYS N N 129 120.100 120.100 119.987 0.113 19232 1670 1 7 . 1 1 129 129 LYS H H 129 7.985 7.985 7.535 0.450 19232 1671 1 7 . 1 1 130 130 LYS N N 130 121.500 121.500 118.780 2.720 19232 1672 1 7 . 1 1 130 130 LYS H H 130 7.705 7.705 7.446 0.259 19232 1673 1 7 . 1 1 131 131 TRP N N 131 122.200 122.200 119.444 2.756 19232 1674 1 7 . 1 1 131 131 TRP H H 131 8.905 8.905 7.367 1.538 19232 1675 1 7 . 1 1 132 132 SER N N 132 111.800 111.800 112.546 -0.746 19232 1676 1 7 . 1 1 132 132 SER H H 132 7.880 7.880 7.792 0.088 19232 1677 1 7 . 1 1 133 133 VAL N N 133 110.900 110.900 119.745 -8.845 19232 1678 1 7 . 1 1 133 133 VAL H H 133 6.685 6.685 7.295 -0.610 19232 1679 1 7 . 1 1 134 134 SER N N 134 112.900 112.900 117.202 -4.302 19232 1680 1 7 . 1 1 134 134 SER H H 134 7.495 7.495 7.625 -0.130 19232 1681 1 7 . 1 1 135 135 ALA N N 135 125.800 125.800 122.233 3.567 19232 1682 1 7 . 1 1 135 135 ALA H H 135 7.735 7.735 7.984 -0.249 19232 1683 1 7 . 1 1 136 136 GLN N N 136 118.500 118.500 118.169 0.331 19232 1684 1 7 . 1 1 136 136 GLN H H 136 8.825 8.825 7.744 1.081 19232 1685 1 7 . 1 1 137 137 TRP N N 137 120.200 120.200 124.649 -4.449 19232 1686 1 7 . 1 1 137 137 TRP H H 137 8.385 8.385 8.565 -0.180 19232 1687 1 7 . 1 1 138 138 GLY N N 138 107.300 107.300 111.914 -4.614 19232 1688 1 7 . 1 1 138 138 GLY H H 138 8.400 8.400 8.897 -0.497 19232 1689 1 7 . 1 1 139 139 GLY N N 139 101.600 101.600 109.251 -7.651 19232 1690 1 7 . 1 1 139 139 GLY H H 139 8.400 8.400 7.459 0.941 19232 1691 1 7 . 1 1 140 140 THR N N 140 107.900 107.900 114.876 -6.976 19232 1692 1 7 . 1 1 140 140 THR H H 140 8.495 8.495 8.270 0.225 19232 1693 1 7 . 1 1 141 141 SER N N 141 120.200 120.200 116.172 4.028 19232 1694 1 7 . 1 1 141 141 SER H H 141 9.350 9.350 8.613 0.737 19232 1695 1 7 . 1 1 142 142 GLY N N 142 105.800 105.800 107.423 -1.623 19232 1696 1 7 . 1 1 142 142 GLY H H 142 7.880 7.880 8.466 -0.586 19232 1697 1 7 . 1 1 143 143 GLN N N 143 123.100 123.100 117.610 5.490 19232 1698 1 7 . 1 1 143 143 GLN H H 143 7.350 7.350 7.535 -0.185 19232 1699 1 7 . 1 1 145 145 LEU N N 145 118.500 118.500 113.971 4.529 19232 1700 1 7 . 1 1 145 145 LEU H H 145 8.130 8.130 7.686 0.444 19232 1701 1 7 . 1 1 146 146 VAL N N 146 116.600 116.600 113.769 2.831 19232 1702 1 7 . 1 1 146 146 VAL H H 146 6.550 6.550 7.663 -1.113 19232 1703 1 7 . 1 1 147 147 THR N N 147 117.400 117.400 116.031 1.369 19232 1704 1 7 . 1 1 147 147 THR H H 147 8.355 8.355 7.275 1.080 19232 1705 1 7 . 1 1 148 148 GLY N N 148 113.700 113.700 108.481 5.219 19232 1706 1 7 . 1 1 148 148 GLY H H 148 8.970 8.970 7.433 1.537 19232 1707 1 7 . 1 1 149 149 ILE N N 149 121.700 121.700 121.619 0.081 19232 1708 1 7 . 1 1 149 149 ILE H H 149 7.865 7.865 7.509 0.356 19232 1709 1 7 . 1 1 150 150 VAL N N 150 125.800 125.800 112.783 13.017 19232 1710 1 7 . 1 1 150 150 VAL H H 150 8.120 8.120 7.565 0.555 19232 1711 1 7 . 1 1 151 151 PHE N N 151 118.300 118.300 120.293 -1.993 19232 1712 1 7 . 1 1 151 151 PHE H H 151 7.965 7.965 7.857 0.108 19232 1713 1 7 . 1 1 152 152 GLU N N 152 118.100 118.100 123.249 -5.149 19232 1714 1 7 . 1 1 152 152 GLU H H 152 9.530 9.530 7.511 2.019 19232 1715 1 7 . 1 1 158 158 VAL N N 158 126.000 126.000 124.903 1.097 19232 1716 1 7 . 1 1 158 158 VAL H H 158 8.200 8.200 8.123 0.077 19232 1717 1 7 . 1 1 159 159 GLY N N 159 113.000 113.000 110.733 2.267 19232 1718 1 7 . 1 1 159 159 GLY H H 159 8.440 8.440 8.078 0.362 19232 1719 1 7 . 1 1 160 160 GLU N N 160 120.700 120.700 120.340 0.360 19232 1720 1 7 . 1 1 160 160 GLU H H 160 8.270 8.270 8.432 -0.162 19232 1721 1 7 . 1 1 162 162 VAL N N 162 120.000 120.000 119.640 0.360 19232 1722 1 7 . 1 1 162 162 VAL H H 162 7.960 7.960 8.246 -0.286 19232 1723 1 8 . 1 1 18 18 SER N N 18 122.200 122.200 113.415 8.785 19232 1724 1 8 . 1 1 18 18 SER H H 18 8.786 8.786 7.376 1.410 19232 1725 1 8 . 1 1 19 19 TYR N N 19 115.700 115.700 123.636 -7.936 19232 1726 1 8 . 1 1 19 19 TYR H H 19 8.135 8.135 8.580 -0.445 19232 1727 1 8 . 1 1 20 20 ASP N N 20 126.400 126.400 120.650 5.750 19232 1728 1 8 . 1 1 20 20 ASP H H 20 9.595 9.595 7.758 1.837 19232 1729 1 8 . 1 1 22 22 THR N N 22 113.200 113.200 117.059 -3.859 19232 1730 1 8 . 1 1 22 22 THR H H 22 8.875 8.875 7.956 0.919 19232 1731 1 8 . 1 1 23 23 LEU N N 23 122.800 122.800 122.697 0.103 19232 1732 1 8 . 1 1 23 23 LEU H H 23 6.765 6.765 8.081 -1.316 19232 1733 1 8 . 1 1 26 26 ASP N N 26 123.500 123.500 122.905 0.595 19232 1734 1 8 . 1 1 26 26 ASP H H 26 9.395 9.395 8.051 1.344 19232 1735 1 8 . 1 1 27 27 HIS N N 27 116.900 116.900 118.150 -1.250 19232 1736 1 8 . 1 1 27 27 HIS H H 27 7.965 7.965 8.575 -0.610 19232 1737 1 8 . 1 1 28 28 ILE N N 28 113.200 113.200 117.235 -4.035 19232 1738 1 8 . 1 1 28 28 ILE H H 28 8.115 8.115 8.027 0.088 19232 1739 1 8 . 1 1 29 29 LYS N N 29 123.200 123.200 128.052 -4.852 19232 1740 1 8 . 1 1 29 29 LYS H H 29 8.610 8.610 8.648 -0.038 19232 1741 1 8 . 1 1 30 30 VAL N N 30 122.300 122.300 120.246 2.054 19232 1742 1 8 . 1 1 30 30 VAL H H 30 8.130 8.130 8.055 0.075 19232 1743 1 8 . 1 1 31 31 TYR N N 31 124.000 124.000 121.798 2.202 19232 1744 1 8 . 1 1 31 31 TYR H H 31 8.520 8.520 7.678 0.842 19232 1745 1 8 . 1 1 32 32 SER N N 32 117.600 117.600 116.878 0.722 19232 1746 1 8 . 1 1 32 32 SER H H 32 7.295 7.295 8.816 -1.521 19232 1747 1 8 . 1 1 33 33 ARG N N 33 125.000 125.000 121.423 3.577 19232 1748 1 8 . 1 1 33 33 ARG H H 33 9.485 9.485 7.951 1.534 19232 1749 1 8 . 1 1 34 34 THR N N 34 119.400 119.400 119.864 -0.464 19232 1750 1 8 . 1 1 34 34 THR H H 34 9.235 9.235 8.195 1.040 19232 1751 1 8 . 1 1 35 35 LEU N N 35 126.200 126.200 126.507 -0.307 19232 1752 1 8 . 1 1 35 35 LEU H H 35 9.510 9.510 8.225 1.285 19232 1753 1 8 . 1 1 36 36 PHE N N 36 124.000 124.000 125.837 -1.837 19232 1754 1 8 . 1 1 36 36 PHE H H 36 8.820 8.820 9.068 -0.248 19232 1755 1 8 . 1 1 37 37 ILE N N 37 127.200 127.200 120.631 6.569 19232 1756 1 8 . 1 1 37 37 ILE H H 37 8.260 8.260 9.236 -0.976 19232 1757 1 8 . 1 1 38 38 GLY N N 38 112.400 112.400 109.746 2.654 19232 1758 1 8 . 1 1 38 38 GLY H H 38 8.670 8.670 8.932 -0.262 19232 1759 1 8 . 1 1 39 39 GLY N N 39 108.300 108.300 108.999 -0.699 19232 1760 1 8 . 1 1 39 39 GLY H H 39 8.360 8.360 8.310 0.050 19232 1761 1 8 . 1 1 40 40 VAL N N 40 121.200 121.200 116.288 4.912 19232 1762 1 8 . 1 1 40 40 VAL H H 40 7.380 7.380 7.537 -0.157 19232 1763 1 8 . 1 1 42 42 LEU N N 42 120.800 120.800 120.943 -0.143 19232 1764 1 8 . 1 1 42 42 LEU H H 42 8.225 8.225 7.566 0.659 19232 1765 1 8 . 1 1 43 43 ASN N N 43 112.300 112.300 121.776 -9.476 19232 1766 1 8 . 1 1 43 43 ASN H H 43 7.980 7.980 8.848 -0.868 19232 1767 1 8 . 1 1 44 44 MET N N 44 122.000 122.000 113.981 8.019 19232 1768 1 8 . 1 1 44 44 MET H H 44 7.470 7.470 7.846 -0.376 19232 1769 1 8 . 1 1 45 45 LYS N N 45 124.100 124.100 118.979 5.121 19232 1770 1 8 . 1 1 45 45 LYS H H 45 8.945 8.945 7.870 1.075 19232 1771 1 8 . 1 1 46 46 GLU N N 46 122.400 122.400 124.508 -2.108 19232 1772 1 8 . 1 1 46 46 GLU H H 46 9.985 9.985 8.857 1.128 19232 1773 1 8 . 1 1 47 47 TRP N N 47 115.200 115.200 118.937 -3.737 19232 1774 1 8 . 1 1 47 47 TRP H H 47 7.840 7.840 7.781 0.059 19232 1775 1 8 . 1 1 48 48 ASP N N 48 118.900 118.900 119.394 -0.494 19232 1776 1 8 . 1 1 48 48 ASP H H 48 6.700 6.700 7.678 -0.978 19232 1777 1 8 . 1 1 49 49 LEU N N 49 120.300 120.300 119.933 0.367 19232 1778 1 8 . 1 1 49 49 LEU H H 49 7.555 7.555 7.661 -0.106 19232 1779 1 8 . 1 1 50 50 ALA N N 50 118.800 118.800 121.040 -2.240 19232 1780 1 8 . 1 1 50 50 ALA H H 50 7.705 7.705 7.585 0.120 19232 1781 1 8 . 1 1 51 51 ASN N N 51 115.900 115.900 115.959 -0.059 19232 1782 1 8 . 1 1 51 51 ASN H H 51 7.805 7.805 7.867 -0.062 19232 1783 1 8 . 1 1 52 52 VAL N N 52 116.000 116.000 114.500 1.500 19232 1784 1 8 . 1 1 52 52 VAL H H 52 7.855 7.855 7.330 0.525 19232 1785 1 8 . 1 1 53 53 LEU N N 53 116.700 116.700 118.895 -2.195 19232 1786 1 8 . 1 1 53 53 LEU H H 53 6.925 6.925 7.421 -0.496 19232 1787 1 8 . 1 1 54 54 LYS N N 54 122.400 122.400 122.101 0.299 19232 1788 1 8 . 1 1 54 54 LYS H H 54 7.120 7.120 7.694 -0.574 19232 1789 1 8 . 1 1 56 56 PHE N N 56 113.000 113.000 112.837 0.163 19232 1790 1 8 . 1 1 56 56 PHE H H 56 8.285 8.285 7.070 1.215 19232 1791 1 8 . 1 1 57 57 ALA N N 57 119.300 119.300 120.893 -1.593 19232 1792 1 8 . 1 1 57 57 ALA H H 57 8.155 8.155 7.162 0.993 19232 1793 1 8 . 1 1 58 58 GLU N N 58 119.300 119.300 120.266 -0.966 19232 1794 1 8 . 1 1 58 58 GLU H H 58 8.130 8.130 8.586 -0.456 19232 1795 1 8 . 1 1 59 59 VAL N N 59 124.200 124.200 121.147 3.053 19232 1796 1 8 . 1 1 59 59 VAL H H 59 7.800 7.800 8.361 -0.561 19232 1797 1 8 . 1 1 60 60 GLN N N 60 130.300 130.300 126.589 3.711 19232 1798 1 8 . 1 1 60 60 GLN H H 60 8.720 8.720 8.774 -0.054 19232 1799 1 8 . 1 1 61 61 SER N N 61 111.000 111.000 115.500 -4.500 19232 1800 1 8 . 1 1 61 61 SER H H 61 7.560 7.560 7.726 -0.166 19232 1801 1 8 . 1 1 62 62 VAL N N 62 121.900 121.900 125.604 -3.704 19232 1802 1 8 . 1 1 62 62 VAL H H 62 8.310 8.310 8.498 -0.188 19232 1803 1 8 . 1 1 63 63 ILE N N 63 127.700 127.700 123.602 4.098 19232 1804 1 8 . 1 1 63 63 ILE H H 63 8.735 8.735 9.039 -0.304 19232 1805 1 8 . 1 1 64 64 LEU N N 64 130.400 130.400 126.290 4.110 19232 1806 1 8 . 1 1 64 64 LEU H H 64 9.160 9.160 8.575 0.585 19232 1807 1 8 . 1 1 69 69 LYS N N 69 116.400 116.400 116.337 0.063 19232 1808 1 8 . 1 1 69 69 LYS H H 69 7.665 7.665 8.282 -0.617 19232 1809 1 8 . 1 1 70 70 HIS N N 70 113.800 113.800 114.501 -0.701 19232 1810 1 8 . 1 1 70 70 HIS H H 70 7.510 7.510 7.298 0.211 19232 1811 1 8 . 1 1 71 71 ALA N N 71 120.500 120.500 121.931 -1.431 19232 1812 1 8 . 1 1 71 71 ALA H H 71 8.745 8.745 8.869 -0.124 19232 1813 1 8 . 1 1 72 72 PHE N N 72 118.100 118.100 117.831 0.269 19232 1814 1 8 . 1 1 72 72 PHE H H 72 8.685 8.685 8.869 -0.184 19232 1815 1 8 . 1 1 73 73 VAL N N 73 125.900 125.900 114.066 11.834 19232 1816 1 8 . 1 1 73 73 VAL H H 73 9.425 9.425 9.240 0.185 19232 1817 1 8 . 1 1 74 74 LYS N N 74 129.700 129.700 122.339 7.361 19232 1818 1 8 . 1 1 74 74 LYS H H 74 8.725 8.725 8.664 0.061 19232 1819 1 8 . 1 1 75 75 VAL N N 75 118.800 118.800 121.457 -2.657 19232 1820 1 8 . 1 1 75 75 VAL H H 75 8.385 8.385 8.520 -0.135 19232 1821 1 8 . 1 1 76 76 TYR N N 76 114.800 114.800 118.890 -4.090 19232 1822 1 8 . 1 1 76 76 TYR H H 76 6.995 6.995 7.805 -0.810 19232 1823 1 8 . 1 1 77 77 SER N N 77 107.200 107.200 115.814 -8.614 19232 1824 1 8 . 1 1 77 77 SER H H 77 7.150 7.150 7.239 -0.089 19232 1825 1 8 . 1 1 78 78 ARG N N 78 124.900 124.900 127.589 -2.689 19232 1826 1 8 . 1 1 78 78 ARG H H 78 9.225 9.225 8.919 0.306 19232 1827 1 8 . 1 1 79 79 HIS N N 79 119.900 119.900 118.484 1.416 19232 1828 1 8 . 1 1 79 79 HIS H H 79 9.105 9.105 7.677 1.428 19232 1829 1 8 . 1 1 80 80 GLU N N 80 118.200 118.200 118.540 -0.340 19232 1830 1 8 . 1 1 80 80 GLU H H 80 7.690 7.690 7.646 0.044 19232 1831 1 8 . 1 1 81 81 ALA N N 81 123.500 123.500 122.521 0.979 19232 1832 1 8 . 1 1 81 81 ALA H H 81 7.695 7.695 7.285 0.410 19232 1833 1 8 . 1 1 82 82 GLU N N 82 116.400 116.400 117.357 -0.957 19232 1834 1 8 . 1 1 82 82 GLU H H 82 8.450 8.450 7.607 0.843 19232 1835 1 8 . 1 1 83 83 ASN N N 83 118.500 118.500 116.623 1.877 19232 1836 1 8 . 1 1 83 83 ASN H H 83 7.835 7.835 7.409 0.426 19232 1837 1 8 . 1 1 84 84 VAL N N 84 118.300 118.300 121.196 -2.896 19232 1838 1 8 . 1 1 84 84 VAL H H 84 7.785 7.785 7.198 0.587 19232 1839 1 8 . 1 1 85 85 LEU N N 85 119.400 119.400 117.439 1.961 19232 1840 1 8 . 1 1 85 85 LEU H H 85 7.590 7.590 7.403 0.187 19232 1841 1 8 . 1 1 86 86 GLN N N 86 113.600 113.600 119.108 -5.508 19232 1842 1 8 . 1 1 86 86 GLN H H 86 7.985 7.985 7.460 0.525 19232 1843 1 8 . 1 1 87 87 ASN N N 87 112.000 112.000 116.779 -4.779 19232 1844 1 8 . 1 1 87 87 ASN H H 87 7.545 7.545 7.412 0.133 19232 1845 1 8 . 1 1 88 88 PHE N N 88 121.900 121.900 116.922 4.978 19232 1846 1 8 . 1 1 88 88 PHE H H 88 8.265 8.265 8.323 -0.058 19232 1847 1 8 . 1 1 89 89 ASN N N 89 126.900 126.900 115.395 11.505 19232 1848 1 8 . 1 1 89 89 ASN H H 89 8.515 8.515 7.750 0.765 19232 1849 1 8 . 1 1 90 90 LYS N N 90 119.900 119.900 118.943 0.957 19232 1850 1 8 . 1 1 90 90 LYS H H 90 7.655 7.655 7.609 0.046 19232 1851 1 8 . 1 1 91 91 ASP N N 91 115.600 115.600 119.403 -3.803 19232 1852 1 8 . 1 1 91 91 ASP H H 91 8.050 8.050 7.808 0.242 19232 1853 1 8 . 1 1 92 92 GLY N N 92 108.400 108.400 107.204 1.196 19232 1854 1 8 . 1 1 92 92 GLY H H 92 7.425 7.425 8.727 -1.302 19232 1855 1 8 . 1 1 93 93 ALA N N 93 122.000 122.000 120.584 1.416 19232 1856 1 8 . 1 1 93 93 ALA H H 93 7.545 7.545 8.119 -0.574 19232 1857 1 8 . 1 1 94 94 LEU N N 94 115.600 115.600 121.203 -5.603 19232 1858 1 8 . 1 1 94 94 LEU H H 94 8.455 8.455 7.714 0.741 19232 1859 1 8 . 1 1 96 96 LEU N N 96 115.700 115.700 121.478 -5.778 19232 1860 1 8 . 1 1 96 96 LEU H H 96 5.775 5.775 7.370 -1.595 19232 1861 1 8 . 1 1 97 97 ARG N N 97 123.300 123.300 126.909 -3.609 19232 1862 1 8 . 1 1 97 97 ARG H H 97 8.290 8.290 8.285 0.005 19232 1863 1 8 . 1 1 98 98 THR N N 98 120.000 120.000 119.198 0.802 19232 1864 1 8 . 1 1 98 98 THR H H 98 8.280 8.280 8.489 -0.209 19232 1865 1 8 . 1 1 99 99 ARG N N 99 122.300 122.300 123.343 -1.043 19232 1866 1 8 . 1 1 99 99 ARG H H 99 9.005 9.005 9.081 -0.076 19232 1867 1 8 . 1 1 100 100 TRP N N 100 120.100 120.100 122.673 -2.573 19232 1868 1 8 . 1 1 100 100 TRP H H 100 8.325 8.325 8.190 0.135 19232 1869 1 8 . 1 1 101 101 GLY N N 101 107.300 107.300 109.918 -2.618 19232 1870 1 8 . 1 1 101 101 GLY H H 101 8.940 8.940 8.338 0.602 19232 1871 1 8 . 1 1 102 102 VAL N N 102 119.800 119.800 119.713 0.087 19232 1872 1 8 . 1 1 102 102 VAL H H 102 8.130 8.130 8.037 0.093 19232 1873 1 8 . 1 1 103 103 GLY N N 103 117.200 117.200 113.983 3.217 19232 1874 1 8 . 1 1 103 103 GLY H H 103 9.440 9.440 8.134 1.306 19232 1875 1 8 . 1 1 104 104 PHE N N 104 120.600 120.600 122.585 -1.985 19232 1876 1 8 . 1 1 104 104 PHE H H 104 7.280 7.280 8.365 -1.085 19232 1877 1 8 . 1 1 105 105 GLY N N 105 117.100 117.100 111.869 5.231 19232 1878 1 8 . 1 1 105 105 GLY H H 105 8.565 8.565 8.475 0.090 19232 1879 1 8 . 1 1 109 109 CYS N N 109 115.300 115.300 122.748 -7.448 19232 1880 1 8 . 1 1 109 109 CYS H H 109 6.915 6.915 8.256 -1.341 19232 1881 1 8 . 1 1 110 110 CYS N N 110 119.000 119.000 122.627 -3.627 19232 1882 1 8 . 1 1 110 110 CYS H H 110 7.130 7.130 7.857 -0.727 19232 1883 1 8 . 1 1 111 111 ASP N N 111 128.800 128.800 127.599 1.201 19232 1884 1 8 . 1 1 111 111 ASP H H 111 8.245 8.245 8.370 -0.125 19232 1885 1 8 . 1 1 112 112 TYR N N 112 124.400 124.400 123.791 0.609 19232 1886 1 8 . 1 1 112 112 TYR H H 112 8.425 8.425 9.106 -0.681 19232 1887 1 8 . 1 1 113 113 GLN N N 113 117.900 117.900 118.301 -0.401 19232 1888 1 8 . 1 1 113 113 GLN H H 113 8.065 8.065 8.214 -0.149 19232 1889 1 8 . 1 1 114 114 HIS N N 114 114.200 114.200 117.615 -3.415 19232 1890 1 8 . 1 1 114 114 HIS H H 114 6.925 6.925 7.862 -0.937 19232 1891 1 8 . 1 1 115 115 GLY N N 115 109.200 109.200 107.540 1.660 19232 1892 1 8 . 1 1 115 115 GLY H H 115 8.430 8.430 7.762 0.668 19232 1893 1 8 . 1 1 116 116 TYR N N 116 115.800 115.800 121.067 -5.267 19232 1894 1 8 . 1 1 116 116 TYR H H 116 6.695 6.695 7.664 -0.969 19232 1895 1 8 . 1 1 117 117 SER N N 117 116.200 116.200 115.166 1.034 19232 1896 1 8 . 1 1 117 117 SER H H 117 8.745 8.745 7.696 1.049 19232 1897 1 8 . 1 1 118 118 ILE N N 118 126.500 126.500 122.534 3.966 19232 1898 1 8 . 1 1 118 118 ILE H H 118 7.560 7.560 8.622 -1.062 19232 1899 1 8 . 1 1 121 121 MET N N 121 124.000 124.000 116.636 7.364 19232 1900 1 8 . 1 1 121 121 MET H H 121 8.885 8.885 7.812 1.073 19232 1901 1 8 . 1 1 122 122 HIS N N 122 113.700 113.700 118.698 -4.998 19232 1902 1 8 . 1 1 122 122 HIS H H 122 7.855 7.855 8.204 -0.349 19232 1903 1 8 . 1 1 123 123 ARG N N 123 117.500 117.500 121.056 -3.556 19232 1904 1 8 . 1 1 123 123 ARG H H 123 7.320 7.320 8.102 -0.782 19232 1905 1 8 . 1 1 124 124 LEU N N 124 119.300 119.300 119.093 0.207 19232 1906 1 8 . 1 1 124 124 LEU H H 124 7.120 7.120 8.224 -1.104 19232 1907 1 8 . 1 1 125 125 THR N N 125 116.000 116.000 113.386 2.614 19232 1908 1 8 . 1 1 125 125 THR H H 125 9.485 9.485 7.969 1.516 19232 1909 1 8 . 1 1 126 126 ASP N N 126 121.700 121.700 122.020 -0.320 19232 1910 1 8 . 1 1 126 126 ASP H H 126 8.750 8.750 7.579 1.171 19232 1911 1 8 . 1 1 127 127 ALA N N 127 123.300 123.300 119.207 4.093 19232 1912 1 8 . 1 1 127 127 ALA H H 127 8.105 8.105 7.399 0.706 19232 1913 1 8 . 1 1 128 128 ASP N N 128 118.700 118.700 116.771 1.929 19232 1914 1 8 . 1 1 128 128 ASP H H 128 7.675 7.675 7.775 -0.100 19232 1915 1 8 . 1 1 129 129 LYS N N 129 120.100 120.100 119.798 0.302 19232 1916 1 8 . 1 1 129 129 LYS H H 129 7.985 7.985 7.542 0.443 19232 1917 1 8 . 1 1 130 130 LYS N N 130 121.500 121.500 119.430 2.070 19232 1918 1 8 . 1 1 130 130 LYS H H 130 7.705 7.705 7.387 0.318 19232 1919 1 8 . 1 1 131 131 TRP N N 131 122.200 122.200 118.938 3.262 19232 1920 1 8 . 1 1 131 131 TRP H H 131 8.905 8.905 7.401 1.504 19232 1921 1 8 . 1 1 132 132 SER N N 132 111.800 111.800 113.058 -1.258 19232 1922 1 8 . 1 1 132 132 SER H H 132 7.880 7.880 7.910 -0.030 19232 1923 1 8 . 1 1 133 133 VAL N N 133 110.900 110.900 113.424 -2.524 19232 1924 1 8 . 1 1 133 133 VAL H H 133 6.685 6.685 7.247 -0.562 19232 1925 1 8 . 1 1 134 134 SER N N 134 112.900 112.900 115.504 -2.604 19232 1926 1 8 . 1 1 134 134 SER H H 134 7.495 7.495 7.510 -0.015 19232 1927 1 8 . 1 1 135 135 ALA N N 135 125.800 125.800 121.300 4.500 19232 1928 1 8 . 1 1 135 135 ALA H H 135 7.735 7.735 7.779 -0.044 19232 1929 1 8 . 1 1 136 136 GLN N N 136 118.500 118.500 116.435 2.065 19232 1930 1 8 . 1 1 136 136 GLN H H 136 8.825 8.825 7.381 1.444 19232 1931 1 8 . 1 1 137 137 TRP N N 137 120.200 120.200 120.537 -0.337 19232 1932 1 8 . 1 1 137 137 TRP H H 137 8.385 8.385 8.626 -0.241 19232 1933 1 8 . 1 1 138 138 GLY N N 138 107.300 107.300 108.584 -1.284 19232 1934 1 8 . 1 1 138 138 GLY H H 138 8.400 8.400 7.829 0.571 19232 1935 1 8 . 1 1 139 139 GLY N N 139 101.600 101.600 108.886 -7.286 19232 1936 1 8 . 1 1 139 139 GLY H H 139 8.400 8.400 7.391 1.009 19232 1937 1 8 . 1 1 140 140 THR N N 140 107.900 107.900 110.846 -2.946 19232 1938 1 8 . 1 1 140 140 THR H H 140 8.495 8.495 8.214 0.281 19232 1939 1 8 . 1 1 141 141 SER N N 141 120.200 120.200 114.787 5.413 19232 1940 1 8 . 1 1 141 141 SER H H 141 9.350 9.350 8.086 1.264 19232 1941 1 8 . 1 1 142 142 GLY N N 142 105.800 105.800 110.297 -4.497 19232 1942 1 8 . 1 1 142 142 GLY H H 142 7.880 7.880 8.402 -0.522 19232 1943 1 8 . 1 1 143 143 GLN N N 143 123.100 123.100 118.205 4.895 19232 1944 1 8 . 1 1 143 143 GLN H H 143 7.350 7.350 8.120 -0.770 19232 1945 1 8 . 1 1 145 145 LEU N N 145 118.500 118.500 116.291 2.209 19232 1946 1 8 . 1 1 145 145 LEU H H 145 8.130 8.130 7.849 0.281 19232 1947 1 8 . 1 1 146 146 VAL N N 146 116.600 116.600 112.740 3.860 19232 1948 1 8 . 1 1 146 146 VAL H H 146 6.550 6.550 7.313 -0.763 19232 1949 1 8 . 1 1 147 147 THR N N 147 117.400 117.400 113.644 3.756 19232 1950 1 8 . 1 1 147 147 THR H H 147 8.355 8.355 7.288 1.067 19232 1951 1 8 . 1 1 148 148 GLY N N 148 113.700 113.700 109.053 4.647 19232 1952 1 8 . 1 1 148 148 GLY H H 148 8.970 8.970 7.836 1.134 19232 1953 1 8 . 1 1 149 149 ILE N N 149 121.700 121.700 120.745 0.955 19232 1954 1 8 . 1 1 149 149 ILE H H 149 7.865 7.865 7.580 0.285 19232 1955 1 8 . 1 1 150 150 VAL N N 150 125.800 125.800 109.534 16.266 19232 1956 1 8 . 1 1 150 150 VAL H H 150 8.120 8.120 7.680 0.440 19232 1957 1 8 . 1 1 151 151 PHE N N 151 118.300 118.300 118.114 0.186 19232 1958 1 8 . 1 1 151 151 PHE H H 151 7.965 7.965 7.650 0.315 19232 1959 1 8 . 1 1 152 152 GLU N N 152 118.100 118.100 122.537 -4.437 19232 1960 1 8 . 1 1 152 152 GLU H H 152 9.530 9.530 8.714 0.816 19232 1961 1 8 . 1 1 158 158 VAL N N 158 126.000 126.000 122.777 3.223 19232 1962 1 8 . 1 1 158 158 VAL H H 158 8.200 8.200 8.304 -0.104 19232 1963 1 8 . 1 1 159 159 GLY N N 159 113.000 113.000 111.283 1.717 19232 1964 1 8 . 1 1 159 159 GLY H H 159 8.440 8.440 7.820 0.620 19232 1965 1 8 . 1 1 160 160 GLU N N 160 120.700 120.700 119.050 1.650 19232 1966 1 8 . 1 1 160 160 GLU H H 160 8.270 8.270 8.575 -0.305 19232 1967 1 8 . 1 1 162 162 VAL N N 162 120.000 120.000 118.558 1.442 19232 1968 1 8 . 1 1 162 162 VAL H H 162 7.960 7.960 8.016 -0.056 19232 1969 1 9 . 1 1 18 18 SER N N 18 122.200 122.200 122.790 -0.590 19232 1970 1 9 . 1 1 18 18 SER H H 18 8.786 8.786 8.451 0.335 19232 1971 1 9 . 1 1 19 19 TYR N N 19 115.700 115.700 119.040 -3.340 19232 1972 1 9 . 1 1 19 19 TYR H H 19 8.135 8.135 8.430 -0.295 19232 1973 1 9 . 1 1 20 20 ASP N N 20 126.400 126.400 119.898 6.502 19232 1974 1 9 . 1 1 20 20 ASP H H 20 9.595 9.595 7.992 1.603 19232 1975 1 9 . 1 1 22 22 THR N N 22 113.200 113.200 113.492 -0.292 19232 1976 1 9 . 1 1 22 22 THR H H 22 8.875 8.875 7.822 1.053 19232 1977 1 9 . 1 1 23 23 LEU N N 23 122.800 122.800 119.534 3.266 19232 1978 1 9 . 1 1 23 23 LEU H H 23 6.765 6.765 7.354 -0.589 19232 1979 1 9 . 1 1 26 26 ASP N N 26 123.500 123.500 119.699 3.801 19232 1980 1 9 . 1 1 26 26 ASP H H 26 9.395 9.395 7.757 1.638 19232 1981 1 9 . 1 1 27 27 HIS N N 27 116.900 116.900 118.590 -1.690 19232 1982 1 9 . 1 1 27 27 HIS H H 27 7.965 7.965 8.292 -0.327 19232 1983 1 9 . 1 1 28 28 ILE N N 28 113.200 113.200 117.617 -4.417 19232 1984 1 9 . 1 1 28 28 ILE H H 28 8.115 8.115 8.245 -0.130 19232 1985 1 9 . 1 1 29 29 LYS N N 29 123.200 123.200 123.158 0.042 19232 1986 1 9 . 1 1 29 29 LYS H H 29 8.610 8.610 8.293 0.317 19232 1987 1 9 . 1 1 30 30 VAL N N 30 122.300 122.300 121.139 1.161 19232 1988 1 9 . 1 1 30 30 VAL H H 30 8.130 8.130 7.241 0.889 19232 1989 1 9 . 1 1 31 31 TYR N N 31 124.000 124.000 126.133 -2.133 19232 1990 1 9 . 1 1 31 31 TYR H H 31 8.520 8.520 7.932 0.588 19232 1991 1 9 . 1 1 32 32 SER N N 32 117.600 117.600 115.724 1.876 19232 1992 1 9 . 1 1 32 32 SER H H 32 7.295 7.295 8.648 -1.353 19232 1993 1 9 . 1 1 33 33 ARG N N 33 125.000 125.000 122.822 2.178 19232 1994 1 9 . 1 1 33 33 ARG H H 33 9.485 9.485 8.003 1.482 19232 1995 1 9 . 1 1 34 34 THR N N 34 119.400 119.400 121.766 -2.366 19232 1996 1 9 . 1 1 34 34 THR H H 34 9.235 9.235 8.264 0.971 19232 1997 1 9 . 1 1 35 35 LEU N N 35 126.200 126.200 126.636 -0.436 19232 1998 1 9 . 1 1 35 35 LEU H H 35 9.510 9.510 8.777 0.733 19232 1999 1 9 . 1 1 36 36 PHE N N 36 124.000 124.000 128.746 -4.746 19232 2000 1 9 . 1 1 36 36 PHE H H 36 8.820 8.820 9.408 -0.588 19232 2001 1 9 . 1 1 37 37 ILE N N 37 127.200 127.200 124.264 2.936 19232 2002 1 9 . 1 1 37 37 ILE H H 37 8.260 8.260 8.168 0.092 19232 2003 1 9 . 1 1 38 38 GLY N N 38 112.400 112.400 110.705 1.695 19232 2004 1 9 . 1 1 38 38 GLY H H 38 8.670 8.670 7.977 0.693 19232 2005 1 9 . 1 1 39 39 GLY N N 39 108.300 108.300 107.225 1.075 19232 2006 1 9 . 1 1 39 39 GLY H H 39 8.360 8.360 8.626 -0.266 19232 2007 1 9 . 1 1 40 40 VAL N N 40 121.200 121.200 117.157 4.043 19232 2008 1 9 . 1 1 40 40 VAL H H 40 7.380 7.380 7.850 -0.470 19232 2009 1 9 . 1 1 42 42 LEU N N 42 120.800 120.800 120.109 0.691 19232 2010 1 9 . 1 1 42 42 LEU H H 42 8.225 8.225 7.495 0.730 19232 2011 1 9 . 1 1 43 43 ASN N N 43 112.300 112.300 122.595 -10.295 19232 2012 1 9 . 1 1 43 43 ASN H H 43 7.980 7.980 8.648 -0.668 19232 2013 1 9 . 1 1 44 44 MET N N 44 122.000 122.000 117.490 4.510 19232 2014 1 9 . 1 1 44 44 MET H H 44 7.470 7.470 7.752 -0.282 19232 2015 1 9 . 1 1 45 45 LYS N N 45 124.100 124.100 119.582 4.518 19232 2016 1 9 . 1 1 45 45 LYS H H 45 8.945 8.945 7.986 0.959 19232 2017 1 9 . 1 1 46 46 GLU N N 46 122.400 122.400 126.677 -4.277 19232 2018 1 9 . 1 1 46 46 GLU H H 46 9.985 9.985 9.185 0.800 19232 2019 1 9 . 1 1 47 47 TRP N N 47 115.200 115.200 116.471 -1.271 19232 2020 1 9 . 1 1 47 47 TRP H H 47 7.840 7.840 7.879 -0.039 19232 2021 1 9 . 1 1 48 48 ASP N N 48 118.900 118.900 120.750 -1.850 19232 2022 1 9 . 1 1 48 48 ASP H H 48 6.700 6.700 7.356 -0.656 19232 2023 1 9 . 1 1 49 49 LEU N N 49 120.300 120.300 119.886 0.414 19232 2024 1 9 . 1 1 49 49 LEU H H 49 7.555 7.555 7.453 0.102 19232 2025 1 9 . 1 1 50 50 ALA N N 50 118.800 118.800 121.059 -2.259 19232 2026 1 9 . 1 1 50 50 ALA H H 50 7.705 7.705 7.517 0.188 19232 2027 1 9 . 1 1 51 51 ASN N N 51 115.900 115.900 116.051 -0.151 19232 2028 1 9 . 1 1 51 51 ASN H H 51 7.805 7.805 7.809 -0.004 19232 2029 1 9 . 1 1 52 52 VAL N N 52 116.000 116.000 113.149 2.851 19232 2030 1 9 . 1 1 52 52 VAL H H 52 7.855 7.855 7.249 0.606 19232 2031 1 9 . 1 1 53 53 LEU N N 53 116.700 116.700 119.696 -2.996 19232 2032 1 9 . 1 1 53 53 LEU H H 53 6.925 6.925 7.348 -0.423 19232 2033 1 9 . 1 1 54 54 LYS N N 54 122.400 122.400 121.344 1.056 19232 2034 1 9 . 1 1 54 54 LYS H H 54 7.120 7.120 7.645 -0.525 19232 2035 1 9 . 1 1 56 56 PHE N N 56 113.000 113.000 120.660 -7.660 19232 2036 1 9 . 1 1 56 56 PHE H H 56 8.285 8.285 8.806 -0.521 19232 2037 1 9 . 1 1 57 57 ALA N N 57 119.300 119.300 119.030 0.270 19232 2038 1 9 . 1 1 57 57 ALA H H 57 8.155 8.155 7.131 1.024 19232 2039 1 9 . 1 1 58 58 GLU N N 58 119.300 119.300 120.243 -0.943 19232 2040 1 9 . 1 1 58 58 GLU H H 58 8.130 8.130 8.522 -0.392 19232 2041 1 9 . 1 1 59 59 VAL N N 59 124.200 124.200 122.055 2.145 19232 2042 1 9 . 1 1 59 59 VAL H H 59 7.800 7.800 7.809 -0.009 19232 2043 1 9 . 1 1 60 60 GLN N N 60 130.300 130.300 126.156 4.144 19232 2044 1 9 . 1 1 60 60 GLN H H 60 8.720 8.720 8.139 0.581 19232 2045 1 9 . 1 1 61 61 SER N N 61 111.000 111.000 116.079 -5.079 19232 2046 1 9 . 1 1 61 61 SER H H 61 7.560 7.560 7.555 0.005 19232 2047 1 9 . 1 1 62 62 VAL N N 62 121.900 121.900 125.469 -3.569 19232 2048 1 9 . 1 1 62 62 VAL H H 62 8.310 8.310 8.691 -0.381 19232 2049 1 9 . 1 1 63 63 ILE N N 63 127.700 127.700 129.325 -1.625 19232 2050 1 9 . 1 1 63 63 ILE H H 63 8.735 8.735 9.307 -0.572 19232 2051 1 9 . 1 1 64 64 LEU N N 64 130.400 130.400 129.819 0.581 19232 2052 1 9 . 1 1 64 64 LEU H H 64 9.160 9.160 8.593 0.567 19232 2053 1 9 . 1 1 69 69 LYS N N 69 116.400 116.400 116.607 -0.207 19232 2054 1 9 . 1 1 69 69 LYS H H 69 7.665 7.665 8.234 -0.569 19232 2055 1 9 . 1 1 70 70 HIS N N 70 113.800 113.800 115.958 -2.158 19232 2056 1 9 . 1 1 70 70 HIS H H 70 7.510 7.510 7.461 0.049 19232 2057 1 9 . 1 1 71 71 ALA N N 71 120.500 120.500 120.875 -0.375 19232 2058 1 9 . 1 1 71 71 ALA H H 71 8.745 8.745 8.830 -0.085 19232 2059 1 9 . 1 1 72 72 PHE N N 72 118.100 118.100 117.697 0.403 19232 2060 1 9 . 1 1 72 72 PHE H H 72 8.685 8.685 9.180 -0.495 19232 2061 1 9 . 1 1 73 73 VAL N N 73 125.900 125.900 116.424 9.476 19232 2062 1 9 . 1 1 73 73 VAL H H 73 9.425 9.425 9.299 0.126 19232 2063 1 9 . 1 1 74 74 LYS N N 74 129.700 129.700 121.800 7.900 19232 2064 1 9 . 1 1 74 74 LYS H H 74 8.725 8.725 8.385 0.340 19232 2065 1 9 . 1 1 75 75 VAL N N 75 118.800 118.800 119.575 -0.775 19232 2066 1 9 . 1 1 75 75 VAL H H 75 8.385 8.385 8.251 0.134 19232 2067 1 9 . 1 1 76 76 TYR N N 76 114.800 114.800 122.642 -7.842 19232 2068 1 9 . 1 1 76 76 TYR H H 76 6.995 6.995 8.724 -1.729 19232 2069 1 9 . 1 1 77 77 SER N N 77 107.200 107.200 114.849 -7.649 19232 2070 1 9 . 1 1 77 77 SER H H 77 7.150 7.150 7.526 -0.376 19232 2071 1 9 . 1 1 78 78 ARG N N 78 124.900 124.900 124.483 0.417 19232 2072 1 9 . 1 1 78 78 ARG H H 78 9.225 9.225 8.957 0.268 19232 2073 1 9 . 1 1 79 79 HIS N N 79 119.900 119.900 117.925 1.975 19232 2074 1 9 . 1 1 79 79 HIS H H 79 9.105 9.105 7.680 1.425 19232 2075 1 9 . 1 1 80 80 GLU N N 80 118.200 118.200 118.786 -0.586 19232 2076 1 9 . 1 1 80 80 GLU H H 80 7.690 7.690 7.939 -0.249 19232 2077 1 9 . 1 1 81 81 ALA N N 81 123.500 123.500 122.575 0.925 19232 2078 1 9 . 1 1 81 81 ALA H H 81 7.695 7.695 7.340 0.355 19232 2079 1 9 . 1 1 82 82 GLU N N 82 116.400 116.400 116.821 -0.421 19232 2080 1 9 . 1 1 82 82 GLU H H 82 8.450 8.450 7.641 0.809 19232 2081 1 9 . 1 1 83 83 ASN N N 83 118.500 118.500 117.221 1.279 19232 2082 1 9 . 1 1 83 83 ASN H H 83 7.835 7.835 7.515 0.320 19232 2083 1 9 . 1 1 84 84 VAL N N 84 118.300 118.300 121.473 -3.173 19232 2084 1 9 . 1 1 84 84 VAL H H 84 7.785 7.785 7.234 0.551 19232 2085 1 9 . 1 1 85 85 LEU N N 85 119.400 119.400 117.793 1.607 19232 2086 1 9 . 1 1 85 85 LEU H H 85 7.590 7.590 7.362 0.228 19232 2087 1 9 . 1 1 86 86 GLN N N 86 113.600 113.600 118.047 -4.447 19232 2088 1 9 . 1 1 86 86 GLN H H 86 7.985 7.985 7.540 0.445 19232 2089 1 9 . 1 1 87 87 ASN N N 87 112.000 112.000 119.906 -7.906 19232 2090 1 9 . 1 1 87 87 ASN H H 87 7.545 7.545 7.594 -0.049 19232 2091 1 9 . 1 1 88 88 PHE N N 88 121.900 121.900 115.556 6.344 19232 2092 1 9 . 1 1 88 88 PHE H H 88 8.265 8.265 7.380 0.885 19232 2093 1 9 . 1 1 89 89 ASN N N 89 126.900 126.900 116.756 10.144 19232 2094 1 9 . 1 1 89 89 ASN H H 89 8.515 8.515 7.752 0.763 19232 2095 1 9 . 1 1 90 90 LYS N N 90 119.900 119.900 116.838 3.062 19232 2096 1 9 . 1 1 90 90 LYS H H 90 7.655 7.655 7.597 0.058 19232 2097 1 9 . 1 1 91 91 ASP N N 91 115.600 115.600 120.661 -5.061 19232 2098 1 9 . 1 1 91 91 ASP H H 91 8.050 8.050 7.904 0.146 19232 2099 1 9 . 1 1 92 92 GLY N N 92 108.400 108.400 108.058 0.342 19232 2100 1 9 . 1 1 92 92 GLY H H 92 7.425 7.425 8.695 -1.270 19232 2101 1 9 . 1 1 93 93 ALA N N 93 122.000 122.000 121.801 0.199 19232 2102 1 9 . 1 1 93 93 ALA H H 93 7.545 7.545 7.758 -0.213 19232 2103 1 9 . 1 1 94 94 LEU N N 94 115.600 115.600 123.401 -7.801 19232 2104 1 9 . 1 1 94 94 LEU H H 94 8.455 8.455 8.164 0.291 19232 2105 1 9 . 1 1 96 96 LEU N N 96 115.700 115.700 116.829 -1.129 19232 2106 1 9 . 1 1 96 96 LEU H H 96 5.775 5.775 6.995 -1.220 19232 2107 1 9 . 1 1 97 97 ARG N N 97 123.300 123.300 122.938 0.362 19232 2108 1 9 . 1 1 97 97 ARG H H 97 8.290 8.290 8.387 -0.097 19232 2109 1 9 . 1 1 98 98 THR N N 98 120.000 120.000 119.455 0.545 19232 2110 1 9 . 1 1 98 98 THR H H 98 8.280 8.280 8.182 0.098 19232 2111 1 9 . 1 1 99 99 ARG N N 99 122.300 122.300 125.359 -3.059 19232 2112 1 9 . 1 1 99 99 ARG H H 99 9.005 9.005 8.652 0.353 19232 2113 1 9 . 1 1 100 100 TRP N N 100 120.100 120.100 121.869 -1.769 19232 2114 1 9 . 1 1 100 100 TRP H H 100 8.325 8.325 8.384 -0.059 19232 2115 1 9 . 1 1 101 101 GLY N N 101 107.300 107.300 108.602 -1.302 19232 2116 1 9 . 1 1 101 101 GLY H H 101 8.940 8.940 8.421 0.519 19232 2117 1 9 . 1 1 102 102 VAL N N 102 119.800 119.800 121.273 -1.473 19232 2118 1 9 . 1 1 102 102 VAL H H 102 8.130 8.130 8.340 -0.210 19232 2119 1 9 . 1 1 103 103 GLY N N 103 117.200 117.200 115.953 1.247 19232 2120 1 9 . 1 1 103 103 GLY H H 103 9.440 9.440 8.182 1.258 19232 2121 1 9 . 1 1 104 104 PHE N N 104 120.600 120.600 122.048 -1.448 19232 2122 1 9 . 1 1 104 104 PHE H H 104 7.280 7.280 7.881 -0.601 19232 2123 1 9 . 1 1 105 105 GLY N N 105 117.100 117.100 111.218 5.882 19232 2124 1 9 . 1 1 105 105 GLY H H 105 8.565 8.565 8.609 -0.044 19232 2125 1 9 . 1 1 109 109 CYS N N 109 115.300 115.300 119.736 -4.436 19232 2126 1 9 . 1 1 109 109 CYS H H 109 6.915 6.915 7.963 -1.048 19232 2127 1 9 . 1 1 110 110 CYS N N 110 119.000 119.000 121.154 -2.154 19232 2128 1 9 . 1 1 110 110 CYS H H 110 7.130 7.130 8.326 -1.196 19232 2129 1 9 . 1 1 111 111 ASP N N 111 128.800 128.800 121.990 6.810 19232 2130 1 9 . 1 1 111 111 ASP H H 111 8.245 8.245 7.895 0.350 19232 2131 1 9 . 1 1 112 112 TYR N N 112 124.400 124.400 117.859 6.541 19232 2132 1 9 . 1 1 112 112 TYR H H 112 8.425 8.425 8.379 0.046 19232 2133 1 9 . 1 1 113 113 GLN N N 113 117.900 117.900 118.691 -0.791 19232 2134 1 9 . 1 1 113 113 GLN H H 113 8.065 8.065 8.307 -0.242 19232 2135 1 9 . 1 1 114 114 HIS N N 114 114.200 114.200 116.732 -2.532 19232 2136 1 9 . 1 1 114 114 HIS H H 114 6.925 6.925 8.042 -1.117 19232 2137 1 9 . 1 1 115 115 GLY N N 115 109.200 109.200 107.501 1.699 19232 2138 1 9 . 1 1 115 115 GLY H H 115 8.430 8.430 7.741 0.689 19232 2139 1 9 . 1 1 116 116 TYR N N 116 115.800 115.800 124.108 -8.308 19232 2140 1 9 . 1 1 116 116 TYR H H 116 6.695 6.695 8.020 -1.325 19232 2141 1 9 . 1 1 117 117 SER N N 117 116.200 116.200 115.332 0.868 19232 2142 1 9 . 1 1 117 117 SER H H 117 8.745 8.745 7.612 1.133 19232 2143 1 9 . 1 1 118 118 ILE N N 118 126.500 126.500 123.104 3.396 19232 2144 1 9 . 1 1 118 118 ILE H H 118 7.560 7.560 8.156 -0.596 19232 2145 1 9 . 1 1 121 121 MET N N 121 124.000 124.000 117.455 6.545 19232 2146 1 9 . 1 1 121 121 MET H H 121 8.885 8.885 8.237 0.648 19232 2147 1 9 . 1 1 122 122 HIS N N 122 113.700 113.700 114.140 -0.440 19232 2148 1 9 . 1 1 122 122 HIS H H 122 7.855 7.855 7.570 0.285 19232 2149 1 9 . 1 1 123 123 ARG N N 123 117.500 117.500 122.303 -4.803 19232 2150 1 9 . 1 1 123 123 ARG H H 123 7.320 7.320 7.971 -0.651 19232 2151 1 9 . 1 1 124 124 LEU N N 124 119.300 119.300 116.717 2.583 19232 2152 1 9 . 1 1 124 124 LEU H H 124 7.120 7.120 7.476 -0.356 19232 2153 1 9 . 1 1 125 125 THR N N 125 116.000 116.000 115.401 0.599 19232 2154 1 9 . 1 1 125 125 THR H H 125 9.485 9.485 7.617 1.868 19232 2155 1 9 . 1 1 126 126 ASP N N 126 121.700 121.700 121.805 -0.105 19232 2156 1 9 . 1 1 126 126 ASP H H 126 8.750 8.750 7.665 1.085 19232 2157 1 9 . 1 1 127 127 ALA N N 127 123.300 123.300 119.494 3.806 19232 2158 1 9 . 1 1 127 127 ALA H H 127 8.105 8.105 7.604 0.501 19232 2159 1 9 . 1 1 128 128 ASP N N 128 118.700 118.700 116.138 2.562 19232 2160 1 9 . 1 1 128 128 ASP H H 128 7.675 7.675 7.628 0.047 19232 2161 1 9 . 1 1 129 129 LYS N N 129 120.100 120.100 119.732 0.368 19232 2162 1 9 . 1 1 129 129 LYS H H 129 7.985 7.985 7.877 0.108 19232 2163 1 9 . 1 1 130 130 LYS N N 130 121.500 121.500 117.078 4.422 19232 2164 1 9 . 1 1 130 130 LYS H H 130 7.705 7.705 7.403 0.302 19232 2165 1 9 . 1 1 131 131 TRP N N 131 122.200 122.200 119.692 2.508 19232 2166 1 9 . 1 1 131 131 TRP H H 131 8.905 8.905 7.380 1.525 19232 2167 1 9 . 1 1 132 132 SER N N 132 111.800 111.800 111.323 0.477 19232 2168 1 9 . 1 1 132 132 SER H H 132 7.880 7.880 7.614 0.266 19232 2169 1 9 . 1 1 133 133 VAL N N 133 110.900 110.900 118.889 -7.989 19232 2170 1 9 . 1 1 133 133 VAL H H 133 6.685 6.685 7.376 -0.691 19232 2171 1 9 . 1 1 134 134 SER N N 134 112.900 112.900 119.421 -6.521 19232 2172 1 9 . 1 1 134 134 SER H H 134 7.495 7.495 8.221 -0.726 19232 2173 1 9 . 1 1 135 135 ALA N N 135 125.800 125.800 125.337 0.463 19232 2174 1 9 . 1 1 135 135 ALA H H 135 7.735 7.735 8.137 -0.402 19232 2175 1 9 . 1 1 136 136 GLN N N 136 118.500 118.500 121.123 -2.623 19232 2176 1 9 . 1 1 136 136 GLN H H 136 8.825 8.825 8.787 0.038 19232 2177 1 9 . 1 1 137 137 TRP N N 137 120.200 120.200 120.479 -0.279 19232 2178 1 9 . 1 1 137 137 TRP H H 137 8.385 8.385 7.626 0.759 19232 2179 1 9 . 1 1 138 138 GLY N N 138 107.300 107.300 106.995 0.305 19232 2180 1 9 . 1 1 138 138 GLY H H 138 8.400 8.400 7.723 0.677 19232 2181 1 9 . 1 1 139 139 GLY N N 139 101.600 101.600 104.820 -3.220 19232 2182 1 9 . 1 1 139 139 GLY H H 139 8.400 8.400 8.551 -0.151 19232 2183 1 9 . 1 1 140 140 THR N N 140 107.900 107.900 105.619 2.281 19232 2184 1 9 . 1 1 140 140 THR H H 140 8.495 8.495 7.641 0.854 19232 2185 1 9 . 1 1 141 141 SER N N 141 120.200 120.200 115.981 4.219 19232 2186 1 9 . 1 1 141 141 SER H H 141 9.350 9.350 7.797 1.553 19232 2187 1 9 . 1 1 142 142 GLY N N 142 105.800 105.800 108.799 -2.999 19232 2188 1 9 . 1 1 142 142 GLY H H 142 7.880 7.880 8.351 -0.471 19232 2189 1 9 . 1 1 143 143 GLN N N 143 123.100 123.100 117.782 5.318 19232 2190 1 9 . 1 1 143 143 GLN H H 143 7.350 7.350 7.628 -0.278 19232 2191 1 9 . 1 1 145 145 LEU N N 145 118.500 118.500 115.432 3.068 19232 2192 1 9 . 1 1 145 145 LEU H H 145 8.130 8.130 7.211 0.919 19232 2193 1 9 . 1 1 146 146 VAL N N 146 116.600 116.600 110.336 6.264 19232 2194 1 9 . 1 1 146 146 VAL H H 146 6.550 6.550 7.247 -0.697 19232 2195 1 9 . 1 1 147 147 THR N N 147 117.400 117.400 113.585 3.815 19232 2196 1 9 . 1 1 147 147 THR H H 147 8.355 8.355 7.605 0.750 19232 2197 1 9 . 1 1 148 148 GLY N N 148 113.700 113.700 108.576 5.124 19232 2198 1 9 . 1 1 148 148 GLY H H 148 8.970 8.970 7.489 1.481 19232 2199 1 9 . 1 1 149 149 ILE N N 149 121.700 121.700 115.036 6.664 19232 2200 1 9 . 1 1 149 149 ILE H H 149 7.865 7.865 7.028 0.837 19232 2201 1 9 . 1 1 150 150 VAL N N 150 125.800 125.800 117.590 8.210 19232 2202 1 9 . 1 1 150 150 VAL H H 150 8.120 8.120 7.292 0.828 19232 2203 1 9 . 1 1 151 151 PHE N N 151 118.300 118.300 118.483 -0.183 19232 2204 1 9 . 1 1 151 151 PHE H H 151 7.965 7.965 7.794 0.171 19232 2205 1 9 . 1 1 152 152 GLU N N 152 118.100 118.100 121.734 -3.634 19232 2206 1 9 . 1 1 152 152 GLU H H 152 9.530 9.530 8.373 1.157 19232 2207 1 9 . 1 1 158 158 VAL N N 158 126.000 126.000 115.212 10.788 19232 2208 1 9 . 1 1 158 158 VAL H H 158 8.200 8.200 7.352 0.848 19232 2209 1 9 . 1 1 159 159 GLY N N 159 113.000 113.000 112.965 0.035 19232 2210 1 9 . 1 1 159 159 GLY H H 159 8.440 8.440 8.451 -0.011 19232 2211 1 9 . 1 1 160 160 GLU N N 160 120.700 120.700 120.553 0.147 19232 2212 1 9 . 1 1 160 160 GLU H H 160 8.270 8.270 8.237 0.033 19232 2213 1 9 . 1 1 162 162 VAL N N 162 120.000 120.000 115.478 4.522 19232 2214 1 9 . 1 1 162 162 VAL H H 162 7.960 7.960 8.228 -0.268 19232 2215 1 10 . 1 1 18 18 SER N N 18 122.200 122.200 121.973 0.227 19232 2216 1 10 . 1 1 18 18 SER H H 18 8.786 8.786 8.565 0.221 19232 2217 1 10 . 1 1 19 19 TYR N N 19 115.700 115.700 119.186 -3.486 19232 2218 1 10 . 1 1 19 19 TYR H H 19 8.135 8.135 7.921 0.214 19232 2219 1 10 . 1 1 20 20 ASP N N 20 126.400 126.400 125.784 0.616 19232 2220 1 10 . 1 1 20 20 ASP H H 20 9.595 9.595 8.520 1.075 19232 2221 1 10 . 1 1 22 22 THR N N 22 113.200 113.200 113.588 -0.388 19232 2222 1 10 . 1 1 22 22 THR H H 22 8.875 8.875 7.996 0.879 19232 2223 1 10 . 1 1 23 23 LEU N N 23 122.800 122.800 124.613 -1.813 19232 2224 1 10 . 1 1 23 23 LEU H H 23 6.765 6.765 8.021 -1.256 19232 2225 1 10 . 1 1 26 26 ASP N N 26 123.500 123.500 117.556 5.944 19232 2226 1 10 . 1 1 26 26 ASP H H 26 9.395 9.395 7.631 1.764 19232 2227 1 10 . 1 1 27 27 HIS N N 27 116.900 116.900 115.483 1.417 19232 2228 1 10 . 1 1 27 27 HIS H H 27 7.965 7.965 8.232 -0.267 19232 2229 1 10 . 1 1 28 28 ILE N N 28 113.200 113.200 118.083 -4.883 19232 2230 1 10 . 1 1 28 28 ILE H H 28 8.115 8.115 7.800 0.315 19232 2231 1 10 . 1 1 29 29 LYS N N 29 123.200 123.200 128.860 -5.660 19232 2232 1 10 . 1 1 29 29 LYS H H 29 8.610 8.610 8.468 0.142 19232 2233 1 10 . 1 1 30 30 VAL N N 30 122.300 122.300 115.362 6.938 19232 2234 1 10 . 1 1 30 30 VAL H H 30 8.130 8.130 7.409 0.721 19232 2235 1 10 . 1 1 31 31 TYR N N 31 124.000 124.000 121.658 2.342 19232 2236 1 10 . 1 1 31 31 TYR H H 31 8.520 8.520 7.668 0.852 19232 2237 1 10 . 1 1 32 32 SER N N 32 117.600 117.600 120.156 -2.556 19232 2238 1 10 . 1 1 32 32 SER H H 32 7.295 7.295 8.464 -1.169 19232 2239 1 10 . 1 1 33 33 ARG N N 33 125.000 125.000 119.361 5.639 19232 2240 1 10 . 1 1 33 33 ARG H H 33 9.485 9.485 7.875 1.610 19232 2241 1 10 . 1 1 34 34 THR N N 34 119.400 119.400 115.112 4.288 19232 2242 1 10 . 1 1 34 34 THR H H 34 9.235 9.235 8.201 1.034 19232 2243 1 10 . 1 1 35 35 LEU N N 35 126.200 126.200 123.256 2.944 19232 2244 1 10 . 1 1 35 35 LEU H H 35 9.510 9.510 7.860 1.650 19232 2245 1 10 . 1 1 36 36 PHE N N 36 124.000 124.000 122.827 1.173 19232 2246 1 10 . 1 1 36 36 PHE H H 36 8.820 8.820 9.321 -0.501 19232 2247 1 10 . 1 1 37 37 ILE N N 37 127.200 127.200 119.789 7.411 19232 2248 1 10 . 1 1 37 37 ILE H H 37 8.260 8.260 8.621 -0.361 19232 2249 1 10 . 1 1 38 38 GLY N N 38 112.400 112.400 108.657 3.743 19232 2250 1 10 . 1 1 38 38 GLY H H 38 8.670 8.670 8.467 0.203 19232 2251 1 10 . 1 1 39 39 GLY N N 39 108.300 108.300 107.861 0.439 19232 2252 1 10 . 1 1 39 39 GLY H H 39 8.360 8.360 8.105 0.255 19232 2253 1 10 . 1 1 40 40 VAL N N 40 121.200 121.200 117.875 3.325 19232 2254 1 10 . 1 1 40 40 VAL H H 40 7.380 7.380 7.324 0.056 19232 2255 1 10 . 1 1 42 42 LEU N N 42 120.800 120.800 118.309 2.491 19232 2256 1 10 . 1 1 42 42 LEU H H 42 8.225 8.225 7.362 0.863 19232 2257 1 10 . 1 1 43 43 ASN N N 43 112.300 112.300 120.972 -8.672 19232 2258 1 10 . 1 1 43 43 ASN H H 43 7.980 7.980 8.768 -0.788 19232 2259 1 10 . 1 1 44 44 MET N N 44 122.000 122.000 117.978 4.022 19232 2260 1 10 . 1 1 44 44 MET H H 44 7.470 7.470 7.939 -0.469 19232 2261 1 10 . 1 1 45 45 LYS N N 45 124.100 124.100 120.334 3.766 19232 2262 1 10 . 1 1 45 45 LYS H H 45 8.945 8.945 8.006 0.939 19232 2263 1 10 . 1 1 46 46 GLU N N 46 122.400 122.400 126.960 -4.560 19232 2264 1 10 . 1 1 46 46 GLU H H 46 9.985 9.985 8.968 1.017 19232 2265 1 10 . 1 1 47 47 TRP N N 47 115.200 115.200 117.472 -2.272 19232 2266 1 10 . 1 1 47 47 TRP H H 47 7.840 7.840 7.806 0.034 19232 2267 1 10 . 1 1 48 48 ASP N N 48 118.900 118.900 119.522 -0.622 19232 2268 1 10 . 1 1 48 48 ASP H H 48 6.700 6.700 7.795 -1.095 19232 2269 1 10 . 1 1 49 49 LEU N N 49 120.300 120.300 119.973 0.327 19232 2270 1 10 . 1 1 49 49 LEU H H 49 7.555 7.555 7.523 0.032 19232 2271 1 10 . 1 1 50 50 ALA N N 50 118.800 118.800 121.134 -2.334 19232 2272 1 10 . 1 1 50 50 ALA H H 50 7.705 7.705 7.586 0.119 19232 2273 1 10 . 1 1 51 51 ASN N N 51 115.900 115.900 115.054 0.846 19232 2274 1 10 . 1 1 51 51 ASN H H 51 7.805 7.805 7.902 -0.097 19232 2275 1 10 . 1 1 52 52 VAL N N 52 116.000 116.000 113.102 2.898 19232 2276 1 10 . 1 1 52 52 VAL H H 52 7.855 7.855 7.339 0.516 19232 2277 1 10 . 1 1 53 53 LEU N N 53 116.700 116.700 119.701 -3.001 19232 2278 1 10 . 1 1 53 53 LEU H H 53 6.925 6.925 7.485 -0.560 19232 2279 1 10 . 1 1 54 54 LYS N N 54 122.400 122.400 120.438 1.962 19232 2280 1 10 . 1 1 54 54 LYS H H 54 7.120 7.120 7.306 -0.186 19232 2281 1 10 . 1 1 56 56 PHE N N 56 113.000 113.000 111.942 1.058 19232 2282 1 10 . 1 1 56 56 PHE H H 56 8.285 8.285 7.100 1.185 19232 2283 1 10 . 1 1 57 57 ALA N N 57 119.300 119.300 121.875 -2.575 19232 2284 1 10 . 1 1 57 57 ALA H H 57 8.155 8.155 6.938 1.217 19232 2285 1 10 . 1 1 58 58 GLU N N 58 119.300 119.300 118.699 0.601 19232 2286 1 10 . 1 1 58 58 GLU H H 58 8.130 8.130 8.873 -0.743 19232 2287 1 10 . 1 1 59 59 VAL N N 59 124.200 124.200 120.819 3.381 19232 2288 1 10 . 1 1 59 59 VAL H H 59 7.800 7.800 7.508 0.292 19232 2289 1 10 . 1 1 60 60 GLN N N 60 130.300 130.300 126.533 3.767 19232 2290 1 10 . 1 1 60 60 GLN H H 60 8.720 8.720 8.674 0.046 19232 2291 1 10 . 1 1 61 61 SER N N 61 111.000 111.000 115.932 -4.932 19232 2292 1 10 . 1 1 61 61 SER H H 61 7.560 7.560 7.620 -0.060 19232 2293 1 10 . 1 1 62 62 VAL N N 62 121.900 121.900 124.207 -2.307 19232 2294 1 10 . 1 1 62 62 VAL H H 62 8.310 8.310 8.350 -0.040 19232 2295 1 10 . 1 1 63 63 ILE N N 63 127.700 127.700 122.342 5.358 19232 2296 1 10 . 1 1 63 63 ILE H H 63 8.735 8.735 8.417 0.318 19232 2297 1 10 . 1 1 64 64 LEU N N 64 130.400 130.400 124.801 5.599 19232 2298 1 10 . 1 1 64 64 LEU H H 64 9.160 9.160 8.718 0.442 19232 2299 1 10 . 1 1 69 69 LYS N N 69 116.400 116.400 118.475 -2.075 19232 2300 1 10 . 1 1 69 69 LYS H H 69 7.665 7.665 8.122 -0.457 19232 2301 1 10 . 1 1 70 70 HIS N N 70 113.800 113.800 116.307 -2.507 19232 2302 1 10 . 1 1 70 70 HIS H H 70 7.510 7.510 7.537 -0.027 19232 2303 1 10 . 1 1 71 71 ALA N N 71 120.500 120.500 125.694 -5.194 19232 2304 1 10 . 1 1 71 71 ALA H H 71 8.745 8.745 8.607 0.138 19232 2305 1 10 . 1 1 72 72 PHE N N 72 118.100 118.100 122.457 -4.357 19232 2306 1 10 . 1 1 72 72 PHE H H 72 8.685 8.685 8.590 0.095 19232 2307 1 10 . 1 1 73 73 VAL N N 73 125.900 125.900 119.433 6.467 19232 2308 1 10 . 1 1 73 73 VAL H H 73 9.425 9.425 8.610 0.815 19232 2309 1 10 . 1 1 74 74 LYS N N 74 129.700 129.700 122.365 7.335 19232 2310 1 10 . 1 1 74 74 LYS H H 74 8.725 8.725 7.907 0.818 19232 2311 1 10 . 1 1 75 75 VAL N N 75 118.800 118.800 119.630 -0.830 19232 2312 1 10 . 1 1 75 75 VAL H H 75 8.385 8.385 8.421 -0.036 19232 2313 1 10 . 1 1 76 76 TYR N N 76 114.800 114.800 123.373 -8.573 19232 2314 1 10 . 1 1 76 76 TYR H H 76 6.995 6.995 8.581 -1.586 19232 2315 1 10 . 1 1 77 77 SER N N 77 107.200 107.200 113.152 -5.952 19232 2316 1 10 . 1 1 77 77 SER H H 77 7.150 7.150 7.353 -0.203 19232 2317 1 10 . 1 1 78 78 ARG N N 78 124.900 124.900 122.301 2.599 19232 2318 1 10 . 1 1 78 78 ARG H H 78 9.225 9.225 7.900 1.325 19232 2319 1 10 . 1 1 79 79 HIS N N 79 119.900 119.900 116.683 3.217 19232 2320 1 10 . 1 1 79 79 HIS H H 79 9.105 9.105 8.251 0.854 19232 2321 1 10 . 1 1 80 80 GLU N N 80 118.200 118.200 119.082 -0.882 19232 2322 1 10 . 1 1 80 80 GLU H H 80 7.690 7.690 7.689 0.001 19232 2323 1 10 . 1 1 81 81 ALA N N 81 123.500 123.500 122.953 0.547 19232 2324 1 10 . 1 1 81 81 ALA H H 81 7.695 7.695 7.110 0.585 19232 2325 1 10 . 1 1 82 82 GLU N N 82 116.400 116.400 118.191 -1.791 19232 2326 1 10 . 1 1 82 82 GLU H H 82 8.450 8.450 7.649 0.801 19232 2327 1 10 . 1 1 83 83 ASN N N 83 118.500 118.500 117.543 0.957 19232 2328 1 10 . 1 1 83 83 ASN H H 83 7.835 7.835 7.463 0.372 19232 2329 1 10 . 1 1 84 84 VAL N N 84 118.300 118.300 120.982 -2.682 19232 2330 1 10 . 1 1 84 84 VAL H H 84 7.785 7.785 7.372 0.413 19232 2331 1 10 . 1 1 85 85 LEU N N 85 119.400 119.400 117.532 1.868 19232 2332 1 10 . 1 1 85 85 LEU H H 85 7.590 7.590 7.490 0.100 19232 2333 1 10 . 1 1 86 86 GLN N N 86 113.600 113.600 117.726 -4.126 19232 2334 1 10 . 1 1 86 86 GLN H H 86 7.985 7.985 7.522 0.463 19232 2335 1 10 . 1 1 87 87 ASN N N 87 112.000 112.000 116.451 -4.451 19232 2336 1 10 . 1 1 87 87 ASN H H 87 7.545 7.545 7.474 0.071 19232 2337 1 10 . 1 1 88 88 PHE N N 88 121.900 121.900 118.301 3.599 19232 2338 1 10 . 1 1 88 88 PHE H H 88 8.265 8.265 8.320 -0.055 19232 2339 1 10 . 1 1 89 89 ASN N N 89 126.900 126.900 116.057 10.843 19232 2340 1 10 . 1 1 89 89 ASN H H 89 8.515 8.515 8.040 0.475 19232 2341 1 10 . 1 1 90 90 LYS N N 90 119.900 119.900 119.034 0.866 19232 2342 1 10 . 1 1 90 90 LYS H H 90 7.655 7.655 7.609 0.046 19232 2343 1 10 . 1 1 91 91 ASP N N 91 115.600 115.600 119.668 -4.068 19232 2344 1 10 . 1 1 91 91 ASP H H 91 8.050 8.050 7.857 0.193 19232 2345 1 10 . 1 1 92 92 GLY N N 92 108.400 108.400 108.470 -0.070 19232 2346 1 10 . 1 1 92 92 GLY H H 92 7.425 7.425 8.160 -0.735 19232 2347 1 10 . 1 1 93 93 ALA N N 93 122.000 122.000 121.434 0.566 19232 2348 1 10 . 1 1 93 93 ALA H H 93 7.545 7.545 8.042 -0.497 19232 2349 1 10 . 1 1 94 94 LEU N N 94 115.600 115.600 122.615 -7.015 19232 2350 1 10 . 1 1 94 94 LEU H H 94 8.455 8.455 8.268 0.187 19232 2351 1 10 . 1 1 96 96 LEU N N 96 115.700 115.700 120.748 -5.048 19232 2352 1 10 . 1 1 96 96 LEU H H 96 5.775 5.775 7.444 -1.669 19232 2353 1 10 . 1 1 97 97 ARG N N 97 123.300 123.300 125.302 -2.002 19232 2354 1 10 . 1 1 97 97 ARG H H 97 8.290 8.290 8.854 -0.564 19232 2355 1 10 . 1 1 98 98 THR N N 98 120.000 120.000 120.783 -0.783 19232 2356 1 10 . 1 1 98 98 THR H H 98 8.280 8.280 8.252 0.028 19232 2357 1 10 . 1 1 99 99 ARG N N 99 122.300 122.300 124.580 -2.280 19232 2358 1 10 . 1 1 99 99 ARG H H 99 9.005 9.005 9.156 -0.151 19232 2359 1 10 . 1 1 100 100 TRP N N 100 120.100 120.100 121.484 -1.384 19232 2360 1 10 . 1 1 100 100 TRP H H 100 8.325 8.325 7.973 0.352 19232 2361 1 10 . 1 1 101 101 GLY N N 101 107.300 107.300 110.236 -2.936 19232 2362 1 10 . 1 1 101 101 GLY H H 101 8.940 8.940 8.905 0.035 19232 2363 1 10 . 1 1 102 102 VAL N N 102 119.800 119.800 120.725 -0.925 19232 2364 1 10 . 1 1 102 102 VAL H H 102 8.130 8.130 8.324 -0.194 19232 2365 1 10 . 1 1 103 103 GLY N N 103 117.200 117.200 112.573 4.627 19232 2366 1 10 . 1 1 103 103 GLY H H 103 9.440 9.440 7.756 1.684 19232 2367 1 10 . 1 1 104 104 PHE N N 104 120.600 120.600 120.685 -0.085 19232 2368 1 10 . 1 1 104 104 PHE H H 104 7.280 7.280 8.369 -1.089 19232 2369 1 10 . 1 1 105 105 GLY N N 105 117.100 117.100 109.514 7.586 19232 2370 1 10 . 1 1 105 105 GLY H H 105 8.565 8.565 8.063 0.502 19232 2371 1 10 . 1 1 109 109 CYS N N 109 115.300 115.300 117.034 -1.734 19232 2372 1 10 . 1 1 109 109 CYS H H 109 6.915 6.915 7.996 -1.081 19232 2373 1 10 . 1 1 110 110 CYS N N 110 119.000 119.000 121.039 -2.039 19232 2374 1 10 . 1 1 110 110 CYS H H 110 7.130 7.130 7.574 -0.444 19232 2375 1 10 . 1 1 111 111 ASP N N 111 128.800 128.800 120.740 8.060 19232 2376 1 10 . 1 1 111 111 ASP H H 111 8.245 8.245 8.449 -0.204 19232 2377 1 10 . 1 1 112 112 TYR N N 112 124.400 124.400 121.628 2.772 19232 2378 1 10 . 1 1 112 112 TYR H H 112 8.425 8.425 8.996 -0.571 19232 2379 1 10 . 1 1 113 113 GLN N N 113 117.900 117.900 115.745 2.155 19232 2380 1 10 . 1 1 113 113 GLN H H 113 8.065 8.065 8.340 -0.275 19232 2381 1 10 . 1 1 114 114 HIS N N 114 114.200 114.200 116.836 -2.636 19232 2382 1 10 . 1 1 114 114 HIS H H 114 6.925 6.925 8.162 -1.237 19232 2383 1 10 . 1 1 115 115 GLY N N 115 109.200 109.200 107.455 1.745 19232 2384 1 10 . 1 1 115 115 GLY H H 115 8.430 8.430 7.504 0.926 19232 2385 1 10 . 1 1 116 116 TYR N N 116 115.800 115.800 123.401 -7.601 19232 2386 1 10 . 1 1 116 116 TYR H H 116 6.695 6.695 7.376 -0.681 19232 2387 1 10 . 1 1 117 117 SER N N 117 116.200 116.200 116.120 0.080 19232 2388 1 10 . 1 1 117 117 SER H H 117 8.745 8.745 7.641 1.104 19232 2389 1 10 . 1 1 118 118 ILE N N 118 126.500 126.500 123.181 3.319 19232 2390 1 10 . 1 1 118 118 ILE H H 118 7.560 7.560 8.241 -0.681 19232 2391 1 10 . 1 1 121 121 MET N N 121 124.000 124.000 116.468 7.532 19232 2392 1 10 . 1 1 121 121 MET H H 121 8.885 8.885 7.935 0.950 19232 2393 1 10 . 1 1 122 122 HIS N N 122 113.700 113.700 115.272 -1.572 19232 2394 1 10 . 1 1 122 122 HIS H H 122 7.855 7.855 7.523 0.332 19232 2395 1 10 . 1 1 123 123 ARG N N 123 117.500 117.500 121.397 -3.897 19232 2396 1 10 . 1 1 123 123 ARG H H 123 7.320 7.320 7.713 -0.394 19232 2397 1 10 . 1 1 124 124 LEU N N 124 119.300 119.300 114.340 4.960 19232 2398 1 10 . 1 1 124 124 LEU H H 124 7.120 7.120 7.978 -0.858 19232 2399 1 10 . 1 1 125 125 THR N N 125 116.000 116.000 114.866 1.134 19232 2400 1 10 . 1 1 125 125 THR H H 125 9.485 9.485 7.596 1.889 19232 2401 1 10 . 1 1 126 126 ASP N N 126 121.700 121.700 123.898 -2.198 19232 2402 1 10 . 1 1 126 126 ASP H H 126 8.750 8.750 7.643 1.107 19232 2403 1 10 . 1 1 127 127 ALA N N 127 123.300 123.300 119.436 3.864 19232 2404 1 10 . 1 1 127 127 ALA H H 127 8.105 8.105 7.511 0.594 19232 2405 1 10 . 1 1 128 128 ASP N N 128 118.700 118.700 118.456 0.244 19232 2406 1 10 . 1 1 128 128 ASP H H 128 7.675 7.675 7.757 -0.082 19232 2407 1 10 . 1 1 129 129 LYS N N 129 120.100 120.100 119.455 0.645 19232 2408 1 10 . 1 1 129 129 LYS H H 129 7.985 7.985 7.510 0.475 19232 2409 1 10 . 1 1 130 130 LYS N N 130 121.500 121.500 120.263 1.237 19232 2410 1 10 . 1 1 130 130 LYS H H 130 7.705 7.705 7.470 0.235 19232 2411 1 10 . 1 1 131 131 TRP N N 131 122.200 122.200 118.357 3.843 19232 2412 1 10 . 1 1 131 131 TRP H H 131 8.905 8.905 7.463 1.442 19232 2413 1 10 . 1 1 132 132 SER N N 132 111.800 111.800 113.637 -1.837 19232 2414 1 10 . 1 1 132 132 SER H H 132 7.880 7.880 7.769 0.111 19232 2415 1 10 . 1 1 133 133 VAL N N 133 110.900 110.900 118.304 -7.404 19232 2416 1 10 . 1 1 133 133 VAL H H 133 6.685 6.685 7.529 -0.844 19232 2417 1 10 . 1 1 134 134 SER N N 134 112.900 112.900 117.413 -4.513 19232 2418 1 10 . 1 1 134 134 SER H H 134 7.495 7.495 7.572 -0.077 19232 2419 1 10 . 1 1 135 135 ALA N N 135 125.800 125.800 121.653 4.147 19232 2420 1 10 . 1 1 135 135 ALA H H 135 7.735 7.735 8.050 -0.315 19232 2421 1 10 . 1 1 136 136 GLN N N 136 118.500 118.500 117.732 0.768 19232 2422 1 10 . 1 1 136 136 GLN H H 136 8.825 8.825 7.693 1.132 19232 2423 1 10 . 1 1 137 137 TRP N N 137 120.200 120.200 120.149 0.051 19232 2424 1 10 . 1 1 137 137 TRP H H 137 8.385 8.385 8.209 0.176 19232 2425 1 10 . 1 1 138 138 GLY N N 138 107.300 107.300 107.611 -0.311 19232 2426 1 10 . 1 1 138 138 GLY H H 138 8.400 8.400 7.406 0.994 19232 2427 1 10 . 1 1 139 139 GLY N N 139 101.600 101.600 107.846 -6.246 19232 2428 1 10 . 1 1 139 139 GLY H H 139 8.400 8.400 8.247 0.153 19232 2429 1 10 . 1 1 140 140 THR N N 140 107.900 107.900 113.577 -5.677 19232 2430 1 10 . 1 1 140 140 THR H H 140 8.495 8.495 8.336 0.159 19232 2431 1 10 . 1 1 141 141 SER N N 141 120.200 120.200 112.893 7.307 19232 2432 1 10 . 1 1 141 141 SER H H 141 9.350 9.350 8.377 0.973 19232 2433 1 10 . 1 1 142 142 GLY N N 142 105.800 105.800 109.888 -4.088 19232 2434 1 10 . 1 1 142 142 GLY H H 142 7.880 7.880 7.759 0.121 19232 2435 1 10 . 1 1 143 143 GLN N N 143 123.100 123.100 117.067 6.033 19232 2436 1 10 . 1 1 143 143 GLN H H 143 7.350 7.350 8.180 -0.830 19232 2437 1 10 . 1 1 145 145 LEU N N 145 118.500 118.500 110.406 8.094 19232 2438 1 10 . 1 1 145 145 LEU H H 145 8.130 8.130 7.466 0.664 19232 2439 1 10 . 1 1 146 146 VAL N N 146 116.600 116.600 115.100 1.500 19232 2440 1 10 . 1 1 146 146 VAL H H 146 6.550 6.550 7.364 -0.814 19232 2441 1 10 . 1 1 147 147 THR N N 147 117.400 117.400 108.428 8.972 19232 2442 1 10 . 1 1 147 147 THR H H 147 8.355 8.355 7.885 0.470 19232 2443 1 10 . 1 1 148 148 GLY N N 148 113.700 113.700 111.288 2.412 19232 2444 1 10 . 1 1 148 148 GLY H H 148 8.970 8.970 7.756 1.214 19232 2445 1 10 . 1 1 149 149 ILE N N 149 121.700 121.700 117.129 4.571 19232 2446 1 10 . 1 1 149 149 ILE H H 149 7.865 7.865 7.510 0.355 19232 2447 1 10 . 1 1 150 150 VAL N N 150 125.800 125.800 114.466 11.334 19232 2448 1 10 . 1 1 150 150 VAL H H 150 8.120 8.120 7.612 0.508 19232 2449 1 10 . 1 1 151 151 PHE N N 151 118.300 118.300 119.186 -0.886 19232 2450 1 10 . 1 1 151 151 PHE H H 151 7.965 7.965 7.568 0.397 19232 2451 1 10 . 1 1 152 152 GLU N N 152 118.100 118.100 122.759 -4.659 19232 2452 1 10 . 1 1 152 152 GLU H H 152 9.530 9.530 8.752 0.778 19232 2453 1 10 . 1 1 158 158 VAL N N 158 126.000 126.000 122.437 3.563 19232 2454 1 10 . 1 1 158 158 VAL H H 158 8.200 8.200 8.122 0.078 19232 2455 1 10 . 1 1 159 159 GLY N N 159 113.000 113.000 111.634 1.366 19232 2456 1 10 . 1 1 159 159 GLY H H 159 8.440 8.440 8.593 -0.153 19232 2457 1 10 . 1 1 160 160 GLU N N 160 120.700 120.700 119.487 1.213 19232 2458 1 10 . 1 1 160 160 GLU H H 160 8.270 8.270 7.992 0.278 19232 2459 1 10 . 1 1 162 162 VAL N N 162 120.000 120.000 118.192 1.808 19232 2460 1 10 . 1 1 162 162 VAL H H 162 7.960 7.960 8.155 -0.195 19232 2461 1 11 . 1 1 18 18 SER N N 18 122.200 122.200 119.804 2.396 19232 2462 1 11 . 1 1 18 18 SER H H 18 8.786 8.786 8.082 0.704 19232 2463 1 11 . 1 1 19 19 TYR N N 19 115.700 115.700 122.674 -6.974 19232 2464 1 11 . 1 1 19 19 TYR H H 19 8.135 8.135 8.601 -0.466 19232 2465 1 11 . 1 1 20 20 ASP N N 20 126.400 126.400 127.508 -1.108 19232 2466 1 11 . 1 1 20 20 ASP H H 20 9.595 9.595 8.277 1.318 19232 2467 1 11 . 1 1 22 22 THR N N 22 113.200 113.200 113.909 -0.709 19232 2468 1 11 . 1 1 22 22 THR H H 22 8.875 8.875 7.546 1.329 19232 2469 1 11 . 1 1 23 23 LEU N N 23 122.800 122.800 124.577 -1.777 19232 2470 1 11 . 1 1 23 23 LEU H H 23 6.765 6.765 7.815 -1.050 19232 2471 1 11 . 1 1 26 26 ASP N N 26 123.500 123.500 120.052 3.448 19232 2472 1 11 . 1 1 26 26 ASP H H 26 9.395 9.395 7.967 1.428 19232 2473 1 11 . 1 1 27 27 HIS N N 27 116.900 116.900 117.907 -1.007 19232 2474 1 11 . 1 1 27 27 HIS H H 27 7.965 7.965 8.301 -0.336 19232 2475 1 11 . 1 1 28 28 ILE N N 28 113.200 113.200 119.410 -6.210 19232 2476 1 11 . 1 1 28 28 ILE H H 28 8.115 8.115 8.030 0.085 19232 2477 1 11 . 1 1 29 29 LYS N N 29 123.200 123.200 121.153 2.047 19232 2478 1 11 . 1 1 29 29 LYS H H 29 8.610 8.610 8.378 0.232 19232 2479 1 11 . 1 1 30 30 VAL N N 30 122.300 122.300 119.485 2.815 19232 2480 1 11 . 1 1 30 30 VAL H H 30 8.130 8.130 7.686 0.444 19232 2481 1 11 . 1 1 31 31 TYR N N 31 124.000 124.000 126.072 -2.072 19232 2482 1 11 . 1 1 31 31 TYR H H 31 8.520 8.520 8.672 -0.152 19232 2483 1 11 . 1 1 32 32 SER N N 32 117.600 117.600 116.935 0.665 19232 2484 1 11 . 1 1 32 32 SER H H 32 7.295 7.295 7.877 -0.582 19232 2485 1 11 . 1 1 33 33 ARG N N 33 125.000 125.000 124.140 0.860 19232 2486 1 11 . 1 1 33 33 ARG H H 33 9.485 9.485 8.572 0.913 19232 2487 1 11 . 1 1 34 34 THR N N 34 119.400 119.400 115.559 3.841 19232 2488 1 11 . 1 1 34 34 THR H H 34 9.235 9.235 8.074 1.161 19232 2489 1 11 . 1 1 35 35 LEU N N 35 126.200 126.200 122.756 3.444 19232 2490 1 11 . 1 1 35 35 LEU H H 35 9.510 9.510 7.945 1.565 19232 2491 1 11 . 1 1 36 36 PHE N N 36 124.000 124.000 127.759 -3.759 19232 2492 1 11 . 1 1 36 36 PHE H H 36 8.820 8.820 9.392 -0.572 19232 2493 1 11 . 1 1 37 37 ILE N N 37 127.200 127.200 123.809 3.391 19232 2494 1 11 . 1 1 37 37 ILE H H 37 8.260 8.260 8.003 0.257 19232 2495 1 11 . 1 1 38 38 GLY N N 38 112.400 112.400 109.008 3.392 19232 2496 1 11 . 1 1 38 38 GLY H H 38 8.670 8.670 8.295 0.375 19232 2497 1 11 . 1 1 39 39 GLY N N 39 108.300 108.300 108.999 -0.699 19232 2498 1 11 . 1 1 39 39 GLY H H 39 8.360 8.360 8.080 0.280 19232 2499 1 11 . 1 1 40 40 VAL N N 40 121.200 121.200 116.665 4.535 19232 2500 1 11 . 1 1 40 40 VAL H H 40 7.380 7.380 7.311 0.069 19232 2501 1 11 . 1 1 42 42 LEU N N 42 120.800 120.800 121.053 -0.253 19232 2502 1 11 . 1 1 42 42 LEU H H 42 8.225 8.225 7.730 0.495 19232 2503 1 11 . 1 1 43 43 ASN N N 43 112.300 112.300 121.577 -9.277 19232 2504 1 11 . 1 1 43 43 ASN H H 43 7.980 7.980 9.001 -1.021 19232 2505 1 11 . 1 1 44 44 MET N N 44 122.000 122.000 115.941 6.059 19232 2506 1 11 . 1 1 44 44 MET H H 44 7.470 7.470 7.779 -0.309 19232 2507 1 11 . 1 1 45 45 LYS N N 45 124.100 124.100 119.856 4.244 19232 2508 1 11 . 1 1 45 45 LYS H H 45 8.945 8.945 8.099 0.846 19232 2509 1 11 . 1 1 46 46 GLU N N 46 122.400 122.400 125.510 -3.110 19232 2510 1 11 . 1 1 46 46 GLU H H 46 9.985 9.985 8.876 1.109 19232 2511 1 11 . 1 1 47 47 TRP N N 47 115.200 115.200 118.590 -3.390 19232 2512 1 11 . 1 1 47 47 TRP H H 47 7.840 7.840 8.132 -0.292 19232 2513 1 11 . 1 1 48 48 ASP N N 48 118.900 118.900 119.147 -0.247 19232 2514 1 11 . 1 1 48 48 ASP H H 48 6.700 6.700 7.793 -1.093 19232 2515 1 11 . 1 1 49 49 LEU N N 49 120.300 120.300 120.088 0.212 19232 2516 1 11 . 1 1 49 49 LEU H H 49 7.555 7.555 7.585 -0.030 19232 2517 1 11 . 1 1 50 50 ALA N N 50 118.800 118.800 121.119 -2.319 19232 2518 1 11 . 1 1 50 50 ALA H H 50 7.705 7.705 7.557 0.148 19232 2519 1 11 . 1 1 51 51 ASN N N 51 115.900 115.900 116.065 -0.165 19232 2520 1 11 . 1 1 51 51 ASN H H 51 7.805 7.805 7.726 0.079 19232 2521 1 11 . 1 1 52 52 VAL N N 52 116.000 116.000 113.945 2.055 19232 2522 1 11 . 1 1 52 52 VAL H H 52 7.855 7.855 7.378 0.477 19232 2523 1 11 . 1 1 53 53 LEU N N 53 116.700 116.700 119.933 -3.233 19232 2524 1 11 . 1 1 53 53 LEU H H 53 6.925 6.925 7.348 -0.423 19232 2525 1 11 . 1 1 54 54 LYS N N 54 122.400 122.400 121.615 0.785 19232 2526 1 11 . 1 1 54 54 LYS H H 54 7.120 7.120 7.519 -0.399 19232 2527 1 11 . 1 1 56 56 PHE N N 56 113.000 113.000 116.872 -3.872 19232 2528 1 11 . 1 1 56 56 PHE H H 56 8.285 8.285 7.905 0.380 19232 2529 1 11 . 1 1 57 57 ALA N N 57 119.300 119.300 116.690 2.610 19232 2530 1 11 . 1 1 57 57 ALA H H 57 8.155 8.155 7.215 0.940 19232 2531 1 11 . 1 1 58 58 GLU N N 58 119.300 119.300 119.793 -0.493 19232 2532 1 11 . 1 1 58 58 GLU H H 58 8.130 8.130 8.583 -0.453 19232 2533 1 11 . 1 1 59 59 VAL N N 59 124.200 124.200 121.232 2.968 19232 2534 1 11 . 1 1 59 59 VAL H H 59 7.800 7.800 7.484 0.316 19232 2535 1 11 . 1 1 60 60 GLN N N 60 130.300 130.300 125.952 4.348 19232 2536 1 11 . 1 1 60 60 GLN H H 60 8.720 8.720 8.460 0.260 19232 2537 1 11 . 1 1 61 61 SER N N 61 111.000 111.000 116.609 -5.609 19232 2538 1 11 . 1 1 61 61 SER H H 61 7.560 7.560 7.689 -0.129 19232 2539 1 11 . 1 1 62 62 VAL N N 62 121.900 121.900 125.636 -3.736 19232 2540 1 11 . 1 1 62 62 VAL H H 62 8.310 8.310 8.595 -0.285 19232 2541 1 11 . 1 1 63 63 ILE N N 63 127.700 127.700 128.891 -1.191 19232 2542 1 11 . 1 1 63 63 ILE H H 63 8.735 8.735 9.302 -0.567 19232 2543 1 11 . 1 1 64 64 LEU N N 64 130.400 130.400 129.660 0.740 19232 2544 1 11 . 1 1 64 64 LEU H H 64 9.160 9.160 8.489 0.671 19232 2545 1 11 . 1 1 69 69 LYS N N 69 116.400 116.400 116.278 0.122 19232 2546 1 11 . 1 1 69 69 LYS H H 69 7.665 7.665 8.193 -0.528 19232 2547 1 11 . 1 1 70 70 HIS N N 70 113.800 113.800 118.128 -4.328 19232 2548 1 11 . 1 1 70 70 HIS H H 70 7.510 7.510 7.662 -0.152 19232 2549 1 11 . 1 1 71 71 ALA N N 71 120.500 120.500 123.018 -2.518 19232 2550 1 11 . 1 1 71 71 ALA H H 71 8.745 8.745 7.581 1.164 19232 2551 1 11 . 1 1 72 72 PHE N N 72 118.100 118.100 124.835 -6.735 19232 2552 1 11 . 1 1 72 72 PHE H H 72 8.685 8.685 9.118 -0.433 19232 2553 1 11 . 1 1 73 73 VAL N N 73 125.900 125.900 120.392 5.508 19232 2554 1 11 . 1 1 73 73 VAL H H 73 9.425 9.425 8.449 0.976 19232 2555 1 11 . 1 1 74 74 LYS N N 74 129.700 129.700 122.467 7.233 19232 2556 1 11 . 1 1 74 74 LYS H H 74 8.725 8.725 8.325 0.400 19232 2557 1 11 . 1 1 75 75 VAL N N 75 118.800 118.800 117.283 1.517 19232 2558 1 11 . 1 1 75 75 VAL H H 75 8.385 8.385 8.295 0.090 19232 2559 1 11 . 1 1 76 76 TYR N N 76 114.800 114.800 119.736 -4.936 19232 2560 1 11 . 1 1 76 76 TYR H H 76 6.995 6.995 8.700 -1.705 19232 2561 1 11 . 1 1 77 77 SER N N 77 107.200 107.200 113.901 -6.701 19232 2562 1 11 . 1 1 77 77 SER H H 77 7.150 7.150 7.548 -0.398 19232 2563 1 11 . 1 1 78 78 ARG N N 78 124.900 124.900 125.988 -1.088 19232 2564 1 11 . 1 1 78 78 ARG H H 78 9.225 9.225 8.901 0.324 19232 2565 1 11 . 1 1 79 79 HIS N N 79 119.900 119.900 116.230 3.670 19232 2566 1 11 . 1 1 79 79 HIS H H 79 9.105 9.105 7.609 1.496 19232 2567 1 11 . 1 1 80 80 GLU N N 80 118.200 118.200 119.749 -1.549 19232 2568 1 11 . 1 1 80 80 GLU H H 80 7.690 7.690 7.471 0.219 19232 2569 1 11 . 1 1 81 81 ALA N N 81 123.500 123.500 122.264 1.236 19232 2570 1 11 . 1 1 81 81 ALA H H 81 7.695 7.695 7.270 0.425 19232 2571 1 11 . 1 1 82 82 GLU N N 82 116.400 116.400 116.861 -0.461 19232 2572 1 11 . 1 1 82 82 GLU H H 82 8.450 8.450 7.599 0.851 19232 2573 1 11 . 1 1 83 83 ASN N N 83 118.500 118.500 116.853 1.647 19232 2574 1 11 . 1 1 83 83 ASN H H 83 7.835 7.835 7.467 0.368 19232 2575 1 11 . 1 1 84 84 VAL N N 84 118.300 118.300 121.087 -2.787 19232 2576 1 11 . 1 1 84 84 VAL H H 84 7.785 7.785 7.133 0.652 19232 2577 1 11 . 1 1 85 85 LEU N N 85 119.400 119.400 117.229 2.171 19232 2578 1 11 . 1 1 85 85 LEU H H 85 7.590 7.590 7.429 0.161 19232 2579 1 11 . 1 1 86 86 GLN N N 86 113.600 113.600 117.923 -4.323 19232 2580 1 11 . 1 1 86 86 GLN H H 86 7.985 7.985 7.595 0.390 19232 2581 1 11 . 1 1 87 87 ASN N N 87 112.000 112.000 118.344 -6.344 19232 2582 1 11 . 1 1 87 87 ASN H H 87 7.545 7.545 7.419 0.126 19232 2583 1 11 . 1 1 88 88 PHE N N 88 121.900 121.900 114.319 7.581 19232 2584 1 11 . 1 1 88 88 PHE H H 88 8.265 8.265 7.174 1.091 19232 2585 1 11 . 1 1 89 89 ASN N N 89 126.900 126.900 116.321 10.579 19232 2586 1 11 . 1 1 89 89 ASN H H 89 8.515 8.515 7.449 1.066 19232 2587 1 11 . 1 1 90 90 LYS N N 90 119.900 119.900 119.485 0.415 19232 2588 1 11 . 1 1 90 90 LYS H H 90 7.655 7.655 7.583 0.072 19232 2589 1 11 . 1 1 91 91 ASP N N 91 115.600 115.600 119.951 -4.351 19232 2590 1 11 . 1 1 91 91 ASP H H 91 8.050 8.050 7.795 0.255 19232 2591 1 11 . 1 1 92 92 GLY N N 92 108.400 108.400 107.539 0.861 19232 2592 1 11 . 1 1 92 92 GLY H H 92 7.425 7.425 8.542 -1.117 19232 2593 1 11 . 1 1 93 93 ALA N N 93 122.000 122.000 122.160 -0.160 19232 2594 1 11 . 1 1 93 93 ALA H H 93 7.545 7.545 7.822 -0.277 19232 2595 1 11 . 1 1 94 94 LEU N N 94 115.600 115.600 119.840 -4.240 19232 2596 1 11 . 1 1 94 94 LEU H H 94 8.455 8.455 7.984 0.471 19232 2597 1 11 . 1 1 96 96 LEU N N 96 115.700 115.700 117.356 -1.656 19232 2598 1 11 . 1 1 96 96 LEU H H 96 5.775 5.775 7.016 -1.241 19232 2599 1 11 . 1 1 97 97 ARG N N 97 123.300 123.300 122.554 0.746 19232 2600 1 11 . 1 1 97 97 ARG H H 97 8.290 8.290 8.226 0.064 19232 2601 1 11 . 1 1 98 98 THR N N 98 120.000 120.000 115.281 4.719 19232 2602 1 11 . 1 1 98 98 THR H H 98 8.280 8.280 8.330 -0.050 19232 2603 1 11 . 1 1 99 99 ARG N N 99 122.300 122.300 124.053 -1.753 19232 2604 1 11 . 1 1 99 99 ARG H H 99 9.005 9.005 8.981 0.024 19232 2605 1 11 . 1 1 100 100 TRP N N 100 120.100 120.100 121.686 -1.586 19232 2606 1 11 . 1 1 100 100 TRP H H 100 8.325 8.325 8.364 -0.039 19232 2607 1 11 . 1 1 101 101 GLY N N 101 107.300 107.300 107.578 -0.278 19232 2608 1 11 . 1 1 101 101 GLY H H 101 8.940 8.940 8.387 0.553 19232 2609 1 11 . 1 1 102 102 VAL N N 102 119.800 119.800 119.087 0.713 19232 2610 1 11 . 1 1 102 102 VAL H H 102 8.130 8.130 8.250 -0.120 19232 2611 1 11 . 1 1 103 103 GLY N N 103 117.200 117.200 114.079 3.121 19232 2612 1 11 . 1 1 103 103 GLY H H 103 9.440 9.440 8.137 1.303 19232 2613 1 11 . 1 1 104 104 PHE N N 104 120.600 120.600 123.503 -2.903 19232 2614 1 11 . 1 1 104 104 PHE H H 104 7.280 7.280 8.286 -1.006 19232 2615 1 11 . 1 1 105 105 GLY N N 105 117.100 117.100 110.102 6.998 19232 2616 1 11 . 1 1 105 105 GLY H H 105 8.565 8.565 6.770 1.795 19232 2617 1 11 . 1 1 109 109 CYS N N 109 115.300 115.300 118.154 -2.854 19232 2618 1 11 . 1 1 109 109 CYS H H 109 6.915 6.915 7.948 -1.033 19232 2619 1 11 . 1 1 110 110 CYS N N 110 119.000 119.000 120.612 -1.612 19232 2620 1 11 . 1 1 110 110 CYS H H 110 7.130 7.130 7.571 -0.441 19232 2621 1 11 . 1 1 111 111 ASP N N 111 128.800 128.800 123.151 5.649 19232 2622 1 11 . 1 1 111 111 ASP H H 111 8.245 8.245 8.340 -0.095 19232 2623 1 11 . 1 1 112 112 TYR N N 112 124.400 124.400 122.685 1.715 19232 2624 1 11 . 1 1 112 112 TYR H H 112 8.425 8.425 8.641 -0.216 19232 2625 1 11 . 1 1 113 113 GLN N N 113 117.900 117.900 116.302 1.598 19232 2626 1 11 . 1 1 113 113 GLN H H 113 8.065 8.065 8.629 -0.564 19232 2627 1 11 . 1 1 114 114 HIS N N 114 114.200 114.200 116.681 -2.481 19232 2628 1 11 . 1 1 114 114 HIS H H 114 6.925 6.925 8.005 -1.080 19232 2629 1 11 . 1 1 115 115 GLY N N 115 109.200 109.200 107.574 1.626 19232 2630 1 11 . 1 1 115 115 GLY H H 115 8.430 8.430 7.990 0.440 19232 2631 1 11 . 1 1 116 116 TYR N N 116 115.800 115.800 124.645 -8.845 19232 2632 1 11 . 1 1 116 116 TYR H H 116 6.695 6.695 7.969 -1.274 19232 2633 1 11 . 1 1 117 117 SER N N 117 116.200 116.200 116.319 -0.119 19232 2634 1 11 . 1 1 117 117 SER H H 117 8.745 8.745 7.555 1.190 19232 2635 1 11 . 1 1 118 118 ILE N N 118 126.500 126.500 122.903 3.597 19232 2636 1 11 . 1 1 118 118 ILE H H 118 7.560 7.560 8.277 -0.717 19232 2637 1 11 . 1 1 121 121 MET N N 121 124.000 124.000 116.601 7.399 19232 2638 1 11 . 1 1 121 121 MET H H 121 8.885 8.885 8.032 0.853 19232 2639 1 11 . 1 1 122 122 HIS N N 122 113.700 113.700 121.101 -7.401 19232 2640 1 11 . 1 1 122 122 HIS H H 122 7.855 7.855 7.888 -0.033 19232 2641 1 11 . 1 1 123 123 ARG N N 123 117.500 117.500 117.055 0.445 19232 2642 1 11 . 1 1 123 123 ARG H H 123 7.320 7.320 7.825 -0.505 19232 2643 1 11 . 1 1 124 124 LEU N N 124 119.300 119.300 121.325 -2.025 19232 2644 1 11 . 1 1 124 124 LEU H H 124 7.120 7.120 7.499 -0.379 19232 2645 1 11 . 1 1 125 125 THR N N 125 116.000 116.000 113.187 2.813 19232 2646 1 11 . 1 1 125 125 THR H H 125 9.485 9.485 7.664 1.821 19232 2647 1 11 . 1 1 126 126 ASP N N 126 121.700 121.700 122.698 -0.998 19232 2648 1 11 . 1 1 126 126 ASP H H 126 8.750 8.750 7.545 1.206 19232 2649 1 11 . 1 1 127 127 ALA N N 127 123.300 123.300 119.043 4.257 19232 2650 1 11 . 1 1 127 127 ALA H H 127 8.105 8.105 7.329 0.776 19232 2651 1 11 . 1 1 128 128 ASP N N 128 118.700 118.700 115.999 2.701 19232 2652 1 11 . 1 1 128 128 ASP H H 128 7.675 7.675 7.642 0.033 19232 2653 1 11 . 1 1 129 129 LYS N N 129 120.100 120.100 119.224 0.876 19232 2654 1 11 . 1 1 129 129 LYS H H 129 7.985 7.985 7.456 0.529 19232 2655 1 11 . 1 1 130 130 LYS N N 130 121.500 121.500 119.368 2.132 19232 2656 1 11 . 1 1 130 130 LYS H H 130 7.705 7.705 7.380 0.325 19232 2657 1 11 . 1 1 131 131 TRP N N 131 122.200 122.200 119.806 2.394 19232 2658 1 11 . 1 1 131 131 TRP H H 131 8.905 8.905 7.385 1.520 19232 2659 1 11 . 1 1 132 132 SER N N 132 111.800 111.800 112.395 -0.595 19232 2660 1 11 . 1 1 132 132 SER H H 132 7.880 7.880 7.779 0.101 19232 2661 1 11 . 1 1 133 133 VAL N N 133 110.900 110.900 118.362 -7.462 19232 2662 1 11 . 1 1 133 133 VAL H H 133 6.685 6.685 7.125 -0.440 19232 2663 1 11 . 1 1 134 134 SER N N 134 112.900 112.900 116.700 -3.800 19232 2664 1 11 . 1 1 134 134 SER H H 134 7.495 7.495 7.574 -0.079 19232 2665 1 11 . 1 1 135 135 ALA N N 135 125.800 125.800 122.220 3.580 19232 2666 1 11 . 1 1 135 135 ALA H H 135 7.735 7.735 7.897 -0.162 19232 2667 1 11 . 1 1 136 136 GLN N N 136 118.500 118.500 118.876 -0.376 19232 2668 1 11 . 1 1 136 136 GLN H H 136 8.825 8.825 7.654 1.171 19232 2669 1 11 . 1 1 137 137 TRP N N 137 120.200 120.200 121.300 -1.100 19232 2670 1 11 . 1 1 137 137 TRP H H 137 8.385 8.385 8.338 0.047 19232 2671 1 11 . 1 1 138 138 GLY N N 138 107.300 107.300 107.228 0.072 19232 2672 1 11 . 1 1 138 138 GLY H H 138 8.400 8.400 7.364 1.036 19232 2673 1 11 . 1 1 139 139 GLY N N 139 101.600 101.600 105.593 -3.993 19232 2674 1 11 . 1 1 139 139 GLY H H 139 8.400 8.400 8.179 0.221 19232 2675 1 11 . 1 1 140 140 THR N N 140 107.900 107.900 113.826 -5.926 19232 2676 1 11 . 1 1 140 140 THR H H 140 8.495 8.495 8.222 0.273 19232 2677 1 11 . 1 1 141 141 SER N N 141 120.200 120.200 115.902 4.298 19232 2678 1 11 . 1 1 141 141 SER H H 141 9.350 9.350 8.568 0.782 19232 2679 1 11 . 1 1 142 142 GLY N N 142 105.800 105.800 107.542 -1.742 19232 2680 1 11 . 1 1 142 142 GLY H H 142 7.880 7.880 8.153 -0.273 19232 2681 1 11 . 1 1 143 143 GLN N N 143 123.100 123.100 118.220 4.880 19232 2682 1 11 . 1 1 143 143 GLN H H 143 7.350 7.350 7.526 -0.176 19232 2683 1 11 . 1 1 145 145 LEU N N 145 118.500 118.500 114.505 3.995 19232 2684 1 11 . 1 1 145 145 LEU H H 145 8.130 8.130 7.722 0.408 19232 2685 1 11 . 1 1 146 146 VAL N N 146 116.600 116.600 111.651 4.949 19232 2686 1 11 . 1 1 146 146 VAL H H 146 6.550 6.550 7.182 -0.632 19232 2687 1 11 . 1 1 147 147 THR N N 147 117.400 117.400 108.571 8.829 19232 2688 1 11 . 1 1 147 147 THR H H 147 8.355 8.355 7.452 0.903 19232 2689 1 11 . 1 1 148 148 GLY N N 148 113.700 113.700 110.494 3.206 19232 2690 1 11 . 1 1 148 148 GLY H H 148 8.970 8.970 7.972 0.998 19232 2691 1 11 . 1 1 149 149 ILE N N 149 121.700 121.700 121.093 0.607 19232 2692 1 11 . 1 1 149 149 ILE H H 149 7.865 7.865 7.633 0.232 19232 2693 1 11 . 1 1 150 150 VAL N N 150 125.800 125.800 119.612 6.188 19232 2694 1 11 . 1 1 150 150 VAL H H 150 8.120 8.120 8.290 -0.170 19232 2695 1 11 . 1 1 151 151 PHE N N 151 118.300 118.300 121.002 -2.702 19232 2696 1 11 . 1 1 151 151 PHE H H 151 7.965 7.965 7.768 0.197 19232 2697 1 11 . 1 1 152 152 GLU N N 152 118.100 118.100 121.974 -3.874 19232 2698 1 11 . 1 1 152 152 GLU H H 152 9.530 9.530 8.509 1.021 19232 2699 1 11 . 1 1 158 158 VAL N N 158 126.000 126.000 116.752 9.248 19232 2700 1 11 . 1 1 158 158 VAL H H 158 8.200 8.200 7.567 0.633 19232 2701 1 11 . 1 1 159 159 GLY N N 159 113.000 113.000 112.408 0.592 19232 2702 1 11 . 1 1 159 159 GLY H H 159 8.440 8.440 8.428 0.012 19232 2703 1 11 . 1 1 160 160 GLU N N 160 120.700 120.700 119.194 1.506 19232 2704 1 11 . 1 1 160 160 GLU H H 160 8.270 8.270 9.064 -0.794 19232 2705 1 11 . 1 1 162 162 VAL N N 162 120.000 120.000 118.074 1.926 19232 2706 1 11 . 1 1 162 162 VAL H H 162 7.960 7.960 8.276 -0.316 19232 2707 1 12 . 1 1 18 18 SER N N 18 122.200 122.200 119.340 2.860 19232 2708 1 12 . 1 1 18 18 SER H H 18 8.786 8.786 8.559 0.227 19232 2709 1 12 . 1 1 19 19 TYR N N 19 115.700 115.700 116.698 -0.998 19232 2710 1 12 . 1 1 19 19 TYR H H 19 8.135 8.135 7.250 0.885 19232 2711 1 12 . 1 1 20 20 ASP N N 20 126.400 126.400 123.517 2.883 19232 2712 1 12 . 1 1 20 20 ASP H H 20 9.595 9.595 8.367 1.228 19232 2713 1 12 . 1 1 22 22 THR N N 22 113.200 113.200 118.209 -5.009 19232 2714 1 12 . 1 1 22 22 THR H H 22 8.875 8.875 7.991 0.884 19232 2715 1 12 . 1 1 23 23 LEU N N 23 122.800 122.800 126.286 -3.486 19232 2716 1 12 . 1 1 23 23 LEU H H 23 6.765 6.765 7.951 -1.186 19232 2717 1 12 . 1 1 26 26 ASP N N 26 123.500 123.500 118.898 4.602 19232 2718 1 12 . 1 1 26 26 ASP H H 26 9.395 9.395 7.759 1.636 19232 2719 1 12 . 1 1 27 27 HIS N N 27 116.900 116.900 121.234 -4.334 19232 2720 1 12 . 1 1 27 27 HIS H H 27 7.965 7.965 8.508 -0.543 19232 2721 1 12 . 1 1 28 28 ILE N N 28 113.200 113.200 122.674 -9.474 19232 2722 1 12 . 1 1 28 28 ILE H H 28 8.115 8.115 7.682 0.433 19232 2723 1 12 . 1 1 29 29 LYS N N 29 123.200 123.200 127.707 -4.507 19232 2724 1 12 . 1 1 29 29 LYS H H 29 8.610 8.610 8.642 -0.032 19232 2725 1 12 . 1 1 30 30 VAL N N 30 122.300 122.300 120.962 1.338 19232 2726 1 12 . 1 1 30 30 VAL H H 30 8.130 8.130 7.776 0.354 19232 2727 1 12 . 1 1 31 31 TYR N N 31 124.000 124.000 128.246 -4.246 19232 2728 1 12 . 1 1 31 31 TYR H H 31 8.520 8.520 8.020 0.500 19232 2729 1 12 . 1 1 32 32 SER N N 32 117.600 117.600 121.679 -4.079 19232 2730 1 12 . 1 1 32 32 SER H H 32 7.295 7.295 8.144 -0.849 19232 2731 1 12 . 1 1 33 33 ARG N N 33 125.000 125.000 125.095 -0.095 19232 2732 1 12 . 1 1 33 33 ARG H H 33 9.485 9.485 8.130 1.355 19232 2733 1 12 . 1 1 34 34 THR N N 34 119.400 119.400 112.480 6.920 19232 2734 1 12 . 1 1 34 34 THR H H 34 9.235 9.235 8.293 0.942 19232 2735 1 12 . 1 1 35 35 LEU N N 35 126.200 126.200 126.776 -0.576 19232 2736 1 12 . 1 1 35 35 LEU H H 35 9.510 9.510 7.855 1.655 19232 2737 1 12 . 1 1 36 36 PHE N N 36 124.000 124.000 128.074 -4.074 19232 2738 1 12 . 1 1 36 36 PHE H H 36 8.820 8.820 9.444 -0.624 19232 2739 1 12 . 1 1 37 37 ILE N N 37 127.200 127.200 124.150 3.050 19232 2740 1 12 . 1 1 37 37 ILE H H 37 8.260 8.260 7.751 0.509 19232 2741 1 12 . 1 1 38 38 GLY N N 38 112.400 112.400 109.164 3.236 19232 2742 1 12 . 1 1 38 38 GLY H H 38 8.670 8.670 8.732 -0.062 19232 2743 1 12 . 1 1 39 39 GLY N N 39 108.300 108.300 106.634 1.666 19232 2744 1 12 . 1 1 39 39 GLY H H 39 8.360 8.360 8.741 -0.381 19232 2745 1 12 . 1 1 40 40 VAL N N 40 121.200 121.200 116.688 4.512 19232 2746 1 12 . 1 1 40 40 VAL H H 40 7.380 7.380 7.776 -0.396 19232 2747 1 12 . 1 1 42 42 LEU N N 42 120.800 120.800 118.236 2.564 19232 2748 1 12 . 1 1 42 42 LEU H H 42 8.225 8.225 7.493 0.732 19232 2749 1 12 . 1 1 43 43 ASN N N 43 112.300 112.300 121.126 -8.826 19232 2750 1 12 . 1 1 43 43 ASN H H 43 7.980 7.980 8.742 -0.762 19232 2751 1 12 . 1 1 44 44 MET N N 44 122.000 122.000 116.706 5.294 19232 2752 1 12 . 1 1 44 44 MET H H 44 7.470 7.470 7.955 -0.485 19232 2753 1 12 . 1 1 45 45 LYS N N 45 124.100 124.100 120.617 3.483 19232 2754 1 12 . 1 1 45 45 LYS H H 45 8.945 8.945 7.969 0.976 19232 2755 1 12 . 1 1 46 46 GLU N N 46 122.400 122.400 126.940 -4.540 19232 2756 1 12 . 1 1 46 46 GLU H H 46 9.985 9.985 8.982 1.003 19232 2757 1 12 . 1 1 47 47 TRP N N 47 115.200 115.200 118.029 -2.829 19232 2758 1 12 . 1 1 47 47 TRP H H 47 7.840 7.840 7.736 0.104 19232 2759 1 12 . 1 1 48 48 ASP N N 48 118.900 118.900 119.540 -0.640 19232 2760 1 12 . 1 1 48 48 ASP H H 48 6.700 6.700 7.903 -1.203 19232 2761 1 12 . 1 1 49 49 LEU N N 49 120.300 120.300 119.846 0.454 19232 2762 1 12 . 1 1 49 49 LEU H H 49 7.555 7.555 7.483 0.072 19232 2763 1 12 . 1 1 50 50 ALA N N 50 118.800 118.800 121.358 -2.558 19232 2764 1 12 . 1 1 50 50 ALA H H 50 7.705 7.705 7.522 0.183 19232 2765 1 12 . 1 1 51 51 ASN N N 51 115.900 115.900 115.557 0.343 19232 2766 1 12 . 1 1 51 51 ASN H H 51 7.805 7.805 7.882 -0.077 19232 2767 1 12 . 1 1 52 52 VAL N N 52 116.000 116.000 111.394 4.606 19232 2768 1 12 . 1 1 52 52 VAL H H 52 7.855 7.855 7.067 0.788 19232 2769 1 12 . 1 1 53 53 LEU N N 53 116.700 116.700 119.742 -3.042 19232 2770 1 12 . 1 1 53 53 LEU H H 53 6.925 6.925 7.280 -0.355 19232 2771 1 12 . 1 1 54 54 LYS N N 54 122.400 122.400 121.463 0.937 19232 2772 1 12 . 1 1 54 54 LYS H H 54 7.120 7.120 7.318 -0.198 19232 2773 1 12 . 1 1 56 56 PHE N N 56 113.000 113.000 109.540 3.460 19232 2774 1 12 . 1 1 56 56 PHE H H 56 8.285 8.285 7.234 1.051 19232 2775 1 12 . 1 1 57 57 ALA N N 57 119.300 119.300 121.884 -2.584 19232 2776 1 12 . 1 1 57 57 ALA H H 57 8.155 8.155 6.826 1.329 19232 2777 1 12 . 1 1 58 58 GLU N N 58 119.300 119.300 119.654 -0.354 19232 2778 1 12 . 1 1 58 58 GLU H H 58 8.130 8.130 8.627 -0.497 19232 2779 1 12 . 1 1 59 59 VAL N N 59 124.200 124.200 121.229 2.971 19232 2780 1 12 . 1 1 59 59 VAL H H 59 7.800 7.800 7.577 0.223 19232 2781 1 12 . 1 1 60 60 GLN N N 60 130.300 130.300 125.971 4.329 19232 2782 1 12 . 1 1 60 60 GLN H H 60 8.720 8.720 8.795 -0.075 19232 2783 1 12 . 1 1 61 61 SER N N 61 111.000 111.000 116.166 -5.166 19232 2784 1 12 . 1 1 61 61 SER H H 61 7.560 7.560 7.749 -0.189 19232 2785 1 12 . 1 1 62 62 VAL N N 62 121.900 121.900 126.008 -4.108 19232 2786 1 12 . 1 1 62 62 VAL H H 62 8.310 8.310 8.415 -0.105 19232 2787 1 12 . 1 1 63 63 ILE N N 63 127.700 127.700 127.560 0.140 19232 2788 1 12 . 1 1 63 63 ILE H H 63 8.735 8.735 9.050 -0.315 19232 2789 1 12 . 1 1 64 64 LEU N N 64 130.400 130.400 127.884 2.516 19232 2790 1 12 . 1 1 64 64 LEU H H 64 9.160 9.160 8.501 0.659 19232 2791 1 12 . 1 1 69 69 LYS N N 69 116.400 116.400 120.862 -4.462 19232 2792 1 12 . 1 1 69 69 LYS H H 69 7.665 7.665 8.686 -1.021 19232 2793 1 12 . 1 1 70 70 HIS N N 70 113.800 113.800 121.560 -7.760 19232 2794 1 12 . 1 1 70 70 HIS H H 70 7.510 7.510 7.794 -0.284 19232 2795 1 12 . 1 1 71 71 ALA N N 71 120.500 120.500 128.868 -8.368 19232 2796 1 12 . 1 1 71 71 ALA H H 71 8.745 8.745 7.605 1.140 19232 2797 1 12 . 1 1 72 72 PHE N N 72 118.100 118.100 124.800 -6.700 19232 2798 1 12 . 1 1 72 72 PHE H H 72 8.685 8.685 9.102 -0.417 19232 2799 1 12 . 1 1 73 73 VAL N N 73 125.900 125.900 120.624 5.276 19232 2800 1 12 . 1 1 73 73 VAL H H 73 9.425 9.425 8.582 0.843 19232 2801 1 12 . 1 1 74 74 LYS N N 74 129.700 129.700 121.888 7.812 19232 2802 1 12 . 1 1 74 74 LYS H H 74 8.725 8.725 8.406 0.319 19232 2803 1 12 . 1 1 75 75 VAL N N 75 118.800 118.800 119.419 -0.619 19232 2804 1 12 . 1 1 75 75 VAL H H 75 8.385 8.385 8.140 0.245 19232 2805 1 12 . 1 1 76 76 TYR N N 76 114.800 114.800 121.247 -6.447 19232 2806 1 12 . 1 1 76 76 TYR H H 76 6.995 6.995 8.732 -1.737 19232 2807 1 12 . 1 1 77 77 SER N N 77 107.200 107.200 112.641 -5.441 19232 2808 1 12 . 1 1 77 77 SER H H 77 7.150 7.150 7.541 -0.391 19232 2809 1 12 . 1 1 78 78 ARG N N 78 124.900 124.900 126.977 -2.077 19232 2810 1 12 . 1 1 78 78 ARG H H 78 9.225 9.225 8.778 0.447 19232 2811 1 12 . 1 1 79 79 HIS N N 79 119.900 119.900 115.801 4.099 19232 2812 1 12 . 1 1 79 79 HIS H H 79 9.105 9.105 7.510 1.595 19232 2813 1 12 . 1 1 80 80 GLU N N 80 118.200 118.200 118.474 -0.274 19232 2814 1 12 . 1 1 80 80 GLU H H 80 7.690 7.690 8.151 -0.461 19232 2815 1 12 . 1 1 81 81 ALA N N 81 123.500 123.500 121.987 1.513 19232 2816 1 12 . 1 1 81 81 ALA H H 81 7.695 7.695 7.339 0.356 19232 2817 1 12 . 1 1 82 82 GLU N N 82 116.400 116.400 117.907 -1.507 19232 2818 1 12 . 1 1 82 82 GLU H H 82 8.450 8.450 7.698 0.752 19232 2819 1 12 . 1 1 83 83 ASN N N 83 118.500 118.500 117.836 0.664 19232 2820 1 12 . 1 1 83 83 ASN H H 83 7.835 7.835 7.631 0.204 19232 2821 1 12 . 1 1 84 84 VAL N N 84 118.300 118.300 121.219 -2.919 19232 2822 1 12 . 1 1 84 84 VAL H H 84 7.785 7.785 7.333 0.452 19232 2823 1 12 . 1 1 85 85 LEU N N 85 119.400 119.400 118.405 0.995 19232 2824 1 12 . 1 1 85 85 LEU H H 85 7.590 7.590 7.400 0.190 19232 2825 1 12 . 1 1 86 86 GLN N N 86 113.600 113.600 118.663 -5.063 19232 2826 1 12 . 1 1 86 86 GLN H H 86 7.985 7.985 7.606 0.379 19232 2827 1 12 . 1 1 87 87 ASN N N 87 112.000 112.000 117.670 -5.670 19232 2828 1 12 . 1 1 87 87 ASN H H 87 7.545 7.545 7.507 0.038 19232 2829 1 12 . 1 1 88 88 PHE N N 88 121.900 121.900 118.360 3.540 19232 2830 1 12 . 1 1 88 88 PHE H H 88 8.265 8.265 7.529 0.736 19232 2831 1 12 . 1 1 89 89 ASN N N 89 126.900 126.900 117.360 9.540 19232 2832 1 12 . 1 1 89 89 ASN H H 89 8.515 8.515 7.749 0.766 19232 2833 1 12 . 1 1 90 90 LYS N N 90 119.900 119.900 115.602 4.298 19232 2834 1 12 . 1 1 90 90 LYS H H 90 7.655 7.655 7.557 0.098 19232 2835 1 12 . 1 1 91 91 ASP N N 91 115.600 115.600 120.858 -5.258 19232 2836 1 12 . 1 1 91 91 ASP H H 91 8.050 8.050 7.758 0.292 19232 2837 1 12 . 1 1 92 92 GLY N N 92 108.400 108.400 107.513 0.887 19232 2838 1 12 . 1 1 92 92 GLY H H 92 7.425 7.425 8.118 -0.693 19232 2839 1 12 . 1 1 93 93 ALA N N 93 122.000 122.000 120.910 1.090 19232 2840 1 12 . 1 1 93 93 ALA H H 93 7.545 7.545 7.838 -0.293 19232 2841 1 12 . 1 1 94 94 LEU N N 94 115.600 115.600 121.122 -5.522 19232 2842 1 12 . 1 1 94 94 LEU H H 94 8.455 8.455 7.570 0.885 19232 2843 1 12 . 1 1 96 96 LEU N N 96 115.700 115.700 119.827 -4.127 19232 2844 1 12 . 1 1 96 96 LEU H H 96 5.775 5.775 7.445 -1.670 19232 2845 1 12 . 1 1 97 97 ARG N N 97 123.300 123.300 120.579 2.721 19232 2846 1 12 . 1 1 97 97 ARG H H 97 8.290 8.290 8.525 -0.235 19232 2847 1 12 . 1 1 98 98 THR N N 98 120.000 120.000 116.810 3.190 19232 2848 1 12 . 1 1 98 98 THR H H 98 8.280 8.280 7.911 0.369 19232 2849 1 12 . 1 1 99 99 ARG N N 99 122.300 122.300 125.505 -3.205 19232 2850 1 12 . 1 1 99 99 ARG H H 99 9.005 9.005 9.059 -0.054 19232 2851 1 12 . 1 1 100 100 TRP N N 100 120.100 120.100 121.370 -1.270 19232 2852 1 12 . 1 1 100 100 TRP H H 100 8.325 8.325 8.277 0.048 19232 2853 1 12 . 1 1 101 101 GLY N N 101 107.300 107.300 107.288 0.012 19232 2854 1 12 . 1 1 101 101 GLY H H 101 8.940 8.940 8.320 0.620 19232 2855 1 12 . 1 1 102 102 VAL N N 102 119.800 119.800 119.399 0.401 19232 2856 1 12 . 1 1 102 102 VAL H H 102 8.130 8.130 8.332 -0.202 19232 2857 1 12 . 1 1 103 103 GLY N N 103 117.200 117.200 112.848 4.352 19232 2858 1 12 . 1 1 103 103 GLY H H 103 9.440 9.440 7.758 1.682 19232 2859 1 12 . 1 1 104 104 PHE N N 104 120.600 120.600 117.764 2.836 19232 2860 1 12 . 1 1 104 104 PHE H H 104 7.280 7.280 8.387 -1.107 19232 2861 1 12 . 1 1 105 105 GLY N N 105 117.100 117.100 108.901 8.199 19232 2862 1 12 . 1 1 105 105 GLY H H 105 8.565 8.565 7.739 0.826 19232 2863 1 12 . 1 1 109 109 CYS N N 109 115.300 115.300 117.832 -2.532 19232 2864 1 12 . 1 1 109 109 CYS H H 109 6.915 6.915 8.653 -1.738 19232 2865 1 12 . 1 1 110 110 CYS N N 110 119.000 119.000 121.177 -2.177 19232 2866 1 12 . 1 1 110 110 CYS H H 110 7.130 7.130 8.235 -1.105 19232 2867 1 12 . 1 1 111 111 ASP N N 111 128.800 128.800 127.980 0.820 19232 2868 1 12 . 1 1 111 111 ASP H H 111 8.245 8.245 8.371 -0.127 19232 2869 1 12 . 1 1 112 112 TYR N N 112 124.400 124.400 121.666 2.734 19232 2870 1 12 . 1 1 112 112 TYR H H 112 8.425 8.425 8.763 -0.338 19232 2871 1 12 . 1 1 113 113 GLN N N 113 117.900 117.900 117.622 0.278 19232 2872 1 12 . 1 1 113 113 GLN H H 113 8.065 8.065 8.306 -0.241 19232 2873 1 12 . 1 1 114 114 HIS N N 114 114.200 114.200 115.932 -1.732 19232 2874 1 12 . 1 1 114 114 HIS H H 114 6.925 6.925 7.925 -1.000 19232 2875 1 12 . 1 1 115 115 GLY N N 115 109.200 109.200 106.951 2.249 19232 2876 1 12 . 1 1 115 115 GLY H H 115 8.430 8.430 7.663 0.767 19232 2877 1 12 . 1 1 116 116 TYR N N 116 115.800 115.800 118.729 -2.929 19232 2878 1 12 . 1 1 116 116 TYR H H 116 6.695 6.695 7.369 -0.674 19232 2879 1 12 . 1 1 117 117 SER N N 117 116.200 116.200 116.228 -0.028 19232 2880 1 12 . 1 1 117 117 SER H H 117 8.745 8.745 7.942 0.803 19232 2881 1 12 . 1 1 118 118 ILE N N 118 126.500 126.500 122.558 3.942 19232 2882 1 12 . 1 1 118 118 ILE H H 118 7.560 7.560 7.490 0.070 19232 2883 1 12 . 1 1 121 121 MET N N 121 124.000 124.000 108.731 15.269 19232 2884 1 12 . 1 1 121 121 MET H H 121 8.885 8.885 7.702 1.183 19232 2885 1 12 . 1 1 122 122 HIS N N 122 113.700 113.700 121.715 -8.015 19232 2886 1 12 . 1 1 122 122 HIS H H 122 7.855 7.855 7.818 0.037 19232 2887 1 12 . 1 1 123 123 ARG N N 123 117.500 117.500 118.309 -0.809 19232 2888 1 12 . 1 1 123 123 ARG H H 123 7.320 7.320 8.523 -1.203 19232 2889 1 12 . 1 1 124 124 LEU N N 124 119.300 119.300 118.998 0.302 19232 2890 1 12 . 1 1 124 124 LEU H H 124 7.120 7.120 7.837 -0.717 19232 2891 1 12 . 1 1 125 125 THR N N 125 116.000 116.000 115.746 0.254 19232 2892 1 12 . 1 1 125 125 THR H H 125 9.485 9.485 7.650 1.835 19232 2893 1 12 . 1 1 126 126 ASP N N 126 121.700 121.700 122.301 -0.601 19232 2894 1 12 . 1 1 126 126 ASP H H 126 8.750 8.750 7.820 0.930 19232 2895 1 12 . 1 1 127 127 ALA N N 127 123.300 123.300 119.088 4.212 19232 2896 1 12 . 1 1 127 127 ALA H H 127 8.105 8.105 7.516 0.589 19232 2897 1 12 . 1 1 128 128 ASP N N 128 118.700 118.700 117.119 1.581 19232 2898 1 12 . 1 1 128 128 ASP H H 128 7.675 7.675 7.894 -0.219 19232 2899 1 12 . 1 1 129 129 LYS N N 129 120.100 120.100 121.062 -0.962 19232 2900 1 12 . 1 1 129 129 LYS H H 129 7.985 7.985 7.681 0.304 19232 2901 1 12 . 1 1 130 130 LYS N N 130 121.500 121.500 120.210 1.290 19232 2902 1 12 . 1 1 130 130 LYS H H 130 7.705 7.705 7.448 0.257 19232 2903 1 12 . 1 1 131 131 TRP N N 131 122.200 122.200 118.201 3.999 19232 2904 1 12 . 1 1 131 131 TRP H H 131 8.905 8.905 7.363 1.542 19232 2905 1 12 . 1 1 132 132 SER N N 132 111.800 111.800 111.865 -0.065 19232 2906 1 12 . 1 1 132 132 SER H H 132 7.880 7.880 7.691 0.189 19232 2907 1 12 . 1 1 133 133 VAL N N 133 110.900 110.900 118.614 -7.714 19232 2908 1 12 . 1 1 133 133 VAL H H 133 6.685 6.685 7.298 -0.613 19232 2909 1 12 . 1 1 134 134 SER N N 134 112.900 112.900 117.475 -4.575 19232 2910 1 12 . 1 1 134 134 SER H H 134 7.495 7.495 7.707 -0.212 19232 2911 1 12 . 1 1 135 135 ALA N N 135 125.800 125.800 121.652 4.148 19232 2912 1 12 . 1 1 135 135 ALA H H 135 7.735 7.735 8.027 -0.292 19232 2913 1 12 . 1 1 136 136 GLN N N 136 118.500 118.500 118.514 -0.014 19232 2914 1 12 . 1 1 136 136 GLN H H 136 8.825 8.825 8.274 0.551 19232 2915 1 12 . 1 1 137 137 TRP N N 137 120.200 120.200 119.295 0.905 19232 2916 1 12 . 1 1 137 137 TRP H H 137 8.385 8.385 7.900 0.485 19232 2917 1 12 . 1 1 138 138 GLY N N 138 107.300 107.300 108.208 -0.908 19232 2918 1 12 . 1 1 138 138 GLY H H 138 8.400 8.400 8.602 -0.202 19232 2919 1 12 . 1 1 139 139 GLY N N 139 101.600 101.600 110.970 -9.370 19232 2920 1 12 . 1 1 139 139 GLY H H 139 8.400 8.400 8.147 0.253 19232 2921 1 12 . 1 1 140 140 THR N N 140 107.900 107.900 110.716 -2.816 19232 2922 1 12 . 1 1 140 140 THR H H 140 8.495 8.495 8.724 -0.229 19232 2923 1 12 . 1 1 141 141 SER N N 141 120.200 120.200 117.252 2.948 19232 2924 1 12 . 1 1 141 141 SER H H 141 9.350 9.350 8.218 1.132 19232 2925 1 12 . 1 1 142 142 GLY N N 142 105.800 105.800 107.879 -2.079 19232 2926 1 12 . 1 1 142 142 GLY H H 142 7.880 7.880 7.603 0.277 19232 2927 1 12 . 1 1 143 143 GLN N N 143 123.100 123.100 118.523 4.577 19232 2928 1 12 . 1 1 143 143 GLN H H 143 7.350 7.350 7.363 -0.013 19232 2929 1 12 . 1 1 145 145 LEU N N 145 118.500 118.500 117.556 0.944 19232 2930 1 12 . 1 1 145 145 LEU H H 145 8.130 8.130 7.871 0.259 19232 2931 1 12 . 1 1 146 146 VAL N N 146 116.600 116.600 112.964 3.636 19232 2932 1 12 . 1 1 146 146 VAL H H 146 6.550 6.550 7.406 -0.856 19232 2933 1 12 . 1 1 147 147 THR N N 147 117.400 117.400 110.444 6.956 19232 2934 1 12 . 1 1 147 147 THR H H 147 8.355 8.355 7.661 0.694 19232 2935 1 12 . 1 1 148 148 GLY N N 148 113.700 113.700 109.111 4.589 19232 2936 1 12 . 1 1 148 148 GLY H H 148 8.970 8.970 7.806 1.164 19232 2937 1 12 . 1 1 149 149 ILE N N 149 121.700 121.700 115.994 5.706 19232 2938 1 12 . 1 1 149 149 ILE H H 149 7.865 7.865 7.242 0.623 19232 2939 1 12 . 1 1 150 150 VAL N N 150 125.800 125.800 116.797 9.003 19232 2940 1 12 . 1 1 150 150 VAL H H 150 8.120 8.120 7.739 0.381 19232 2941 1 12 . 1 1 151 151 PHE N N 151 118.300 118.300 122.211 -3.911 19232 2942 1 12 . 1 1 151 151 PHE H H 151 7.965 7.965 8.083 -0.118 19232 2943 1 12 . 1 1 152 152 GLU N N 152 118.100 118.100 119.611 -1.511 19232 2944 1 12 . 1 1 152 152 GLU H H 152 9.530 9.530 7.754 1.776 19232 2945 1 12 . 1 1 158 158 VAL N N 158 126.000 126.000 120.062 5.938 19232 2946 1 12 . 1 1 158 158 VAL H H 158 8.200 8.200 7.346 0.854 19232 2947 1 12 . 1 1 159 159 GLY N N 159 113.000 113.000 113.991 -0.991 19232 2948 1 12 . 1 1 159 159 GLY H H 159 8.440 8.440 8.077 0.363 19232 2949 1 12 . 1 1 160 160 GLU N N 160 120.700 120.700 120.234 0.466 19232 2950 1 12 . 1 1 160 160 GLU H H 160 8.270 8.270 8.275 -0.005 19232 2951 1 12 . 1 1 162 162 VAL N N 162 120.000 120.000 121.322 -1.322 19232 2952 1 12 . 1 1 162 162 VAL H H 162 7.960 7.960 7.882 0.078 19232 2953 1 13 . 1 1 18 18 SER N N 18 122.200 122.200 117.525 4.675 19232 2954 1 13 . 1 1 18 18 SER H H 18 8.786 8.786 8.754 0.032 19232 2955 1 13 . 1 1 19 19 TYR N N 19 115.700 115.700 114.662 1.038 19232 2956 1 13 . 1 1 19 19 TYR H H 19 8.135 8.135 7.329 0.806 19232 2957 1 13 . 1 1 20 20 ASP N N 20 126.400 126.400 119.548 6.852 19232 2958 1 13 . 1 1 20 20 ASP H H 20 9.595 9.595 7.659 1.936 19232 2959 1 13 . 1 1 22 22 THR N N 22 113.200 113.200 118.941 -5.741 19232 2960 1 13 . 1 1 22 22 THR H H 22 8.875 8.875 8.500 0.375 19232 2961 1 13 . 1 1 23 23 LEU N N 23 122.800 122.800 124.432 -1.632 19232 2962 1 13 . 1 1 23 23 LEU H H 23 6.765 6.765 8.060 -1.295 19232 2963 1 13 . 1 1 26 26 ASP N N 26 123.500 123.500 120.191 3.309 19232 2964 1 13 . 1 1 26 26 ASP H H 26 9.395 9.395 7.726 1.669 19232 2965 1 13 . 1 1 27 27 HIS N N 27 116.900 116.900 117.749 -0.849 19232 2966 1 13 . 1 1 27 27 HIS H H 27 7.965 7.965 8.711 -0.746 19232 2967 1 13 . 1 1 28 28 ILE N N 28 113.200 113.200 117.652 -4.452 19232 2968 1 13 . 1 1 28 28 ILE H H 28 8.115 8.115 7.841 0.274 19232 2969 1 13 . 1 1 29 29 LYS N N 29 123.200 123.200 127.807 -4.607 19232 2970 1 13 . 1 1 29 29 LYS H H 29 8.610 8.610 8.686 -0.076 19232 2971 1 13 . 1 1 30 30 VAL N N 30 122.300 122.300 116.764 5.536 19232 2972 1 13 . 1 1 30 30 VAL H H 30 8.130 8.130 7.479 0.651 19232 2973 1 13 . 1 1 31 31 TYR N N 31 124.000 124.000 122.752 1.248 19232 2974 1 13 . 1 1 31 31 TYR H H 31 8.520 8.520 7.850 0.670 19232 2975 1 13 . 1 1 32 32 SER N N 32 117.600 117.600 118.146 -0.546 19232 2976 1 13 . 1 1 32 32 SER H H 32 7.295 7.295 8.566 -1.271 19232 2977 1 13 . 1 1 33 33 ARG N N 33 125.000 125.000 121.634 3.366 19232 2978 1 13 . 1 1 33 33 ARG H H 33 9.485 9.485 7.946 1.539 19232 2979 1 13 . 1 1 34 34 THR N N 34 119.400 119.400 116.551 2.849 19232 2980 1 13 . 1 1 34 34 THR H H 34 9.235 9.235 8.628 0.607 19232 2981 1 13 . 1 1 35 35 LEU N N 35 126.200 126.200 125.382 0.818 19232 2982 1 13 . 1 1 35 35 LEU H H 35 9.510 9.510 7.807 1.703 19232 2983 1 13 . 1 1 36 36 PHE N N 36 124.000 124.000 123.071 0.929 19232 2984 1 13 . 1 1 36 36 PHE H H 36 8.820 8.820 8.997 -0.177 19232 2985 1 13 . 1 1 37 37 ILE N N 37 127.200 127.200 119.457 7.743 19232 2986 1 13 . 1 1 37 37 ILE H H 37 8.260 8.260 9.285 -1.025 19232 2987 1 13 . 1 1 38 38 GLY N N 38 112.400 112.400 108.431 3.969 19232 2988 1 13 . 1 1 38 38 GLY H H 38 8.670 8.670 8.621 0.049 19232 2989 1 13 . 1 1 39 39 GLY N N 39 108.300 108.300 108.341 -0.041 19232 2990 1 13 . 1 1 39 39 GLY H H 39 8.360 8.360 8.122 0.238 19232 2991 1 13 . 1 1 40 40 VAL N N 40 121.200 121.200 115.811 5.389 19232 2992 1 13 . 1 1 40 40 VAL H H 40 7.380 7.380 7.795 -0.415 19232 2993 1 13 . 1 1 42 42 LEU N N 42 120.800 120.800 118.222 2.578 19232 2994 1 13 . 1 1 42 42 LEU H H 42 8.225 8.225 7.969 0.256 19232 2995 1 13 . 1 1 43 43 ASN N N 43 112.300 112.300 115.769 -3.469 19232 2996 1 13 . 1 1 43 43 ASN H H 43 7.980 7.980 8.068 -0.088 19232 2997 1 13 . 1 1 44 44 MET N N 44 122.000 122.000 117.531 4.469 19232 2998 1 13 . 1 1 44 44 MET H H 44 7.470 7.470 8.047 -0.577 19232 2999 1 13 . 1 1 45 45 LYS N N 45 124.100 124.100 118.809 5.291 19232 3000 1 13 . 1 1 45 45 LYS H H 45 8.945 8.945 7.887 1.058 19232 3001 1 13 . 1 1 46 46 GLU N N 46 122.400 122.400 121.754 0.646 19232 3002 1 13 . 1 1 46 46 GLU H H 46 9.985 9.985 8.622 1.363 19232 3003 1 13 . 1 1 47 47 TRP N N 47 115.200 115.200 118.928 -3.728 19232 3004 1 13 . 1 1 47 47 TRP H H 47 7.840 7.840 7.786 0.054 19232 3005 1 13 . 1 1 48 48 ASP N N 48 118.900 118.900 119.488 -0.588 19232 3006 1 13 . 1 1 48 48 ASP H H 48 6.700 6.700 7.658 -0.958 19232 3007 1 13 . 1 1 49 49 LEU N N 49 120.300 120.300 119.584 0.716 19232 3008 1 13 . 1 1 49 49 LEU H H 49 7.555 7.555 7.990 -0.435 19232 3009 1 13 . 1 1 50 50 ALA N N 50 118.800 118.800 121.060 -2.260 19232 3010 1 13 . 1 1 50 50 ALA H H 50 7.705 7.705 7.698 0.007 19232 3011 1 13 . 1 1 51 51 ASN N N 51 115.900 115.900 116.521 -0.621 19232 3012 1 13 . 1 1 51 51 ASN H H 51 7.805 7.805 7.689 0.116 19232 3013 1 13 . 1 1 52 52 VAL N N 52 116.000 116.000 114.044 1.956 19232 3014 1 13 . 1 1 52 52 VAL H H 52 7.855 7.855 7.419 0.436 19232 3015 1 13 . 1 1 53 53 LEU N N 53 116.700 116.700 119.891 -3.191 19232 3016 1 13 . 1 1 53 53 LEU H H 53 6.925 6.925 7.601 -0.676 19232 3017 1 13 . 1 1 54 54 LYS N N 54 122.400 122.400 122.228 0.172 19232 3018 1 13 . 1 1 54 54 LYS H H 54 7.120 7.120 7.690 -0.570 19232 3019 1 13 . 1 1 56 56 PHE N N 56 113.000 113.000 115.247 -2.247 19232 3020 1 13 . 1 1 56 56 PHE H H 56 8.285 8.285 7.893 0.392 19232 3021 1 13 . 1 1 57 57 ALA N N 57 119.300 119.300 120.058 -0.758 19232 3022 1 13 . 1 1 57 57 ALA H H 57 8.155 8.155 7.260 0.895 19232 3023 1 13 . 1 1 58 58 GLU N N 58 119.300 119.300 119.675 -0.375 19232 3024 1 13 . 1 1 58 58 GLU H H 58 8.130 8.130 8.753 -0.623 19232 3025 1 13 . 1 1 59 59 VAL N N 59 124.200 124.200 121.670 2.530 19232 3026 1 13 . 1 1 59 59 VAL H H 59 7.800 7.800 7.574 0.226 19232 3027 1 13 . 1 1 60 60 GLN N N 60 130.300 130.300 125.608 4.692 19232 3028 1 13 . 1 1 60 60 GLN H H 60 8.720 8.720 8.641 0.079 19232 3029 1 13 . 1 1 61 61 SER N N 61 111.000 111.000 115.718 -4.718 19232 3030 1 13 . 1 1 61 61 SER H H 61 7.560 7.560 7.652 -0.092 19232 3031 1 13 . 1 1 62 62 VAL N N 62 121.900 121.900 127.062 -5.162 19232 3032 1 13 . 1 1 62 62 VAL H H 62 8.310 8.310 8.511 -0.201 19232 3033 1 13 . 1 1 63 63 ILE N N 63 127.700 127.700 122.279 5.421 19232 3034 1 13 . 1 1 63 63 ILE H H 63 8.735 8.735 8.738 -0.003 19232 3035 1 13 . 1 1 64 64 LEU N N 64 130.400 130.400 126.358 4.042 19232 3036 1 13 . 1 1 64 64 LEU H H 64 9.160 9.160 8.418 0.742 19232 3037 1 13 . 1 1 69 69 LYS N N 69 116.400 116.400 118.901 -2.501 19232 3038 1 13 . 1 1 69 69 LYS H H 69 7.665 7.665 7.747 -0.082 19232 3039 1 13 . 1 1 70 70 HIS N N 70 113.800 113.800 116.898 -3.098 19232 3040 1 13 . 1 1 70 70 HIS H H 70 7.510 7.510 7.535 -0.025 19232 3041 1 13 . 1 1 71 71 ALA N N 71 120.500 120.500 121.057 -0.557 19232 3042 1 13 . 1 1 71 71 ALA H H 71 8.745 8.745 9.074 -0.329 19232 3043 1 13 . 1 1 72 72 PHE N N 72 118.100 118.100 120.058 -1.958 19232 3044 1 13 . 1 1 72 72 PHE H H 72 8.685 8.685 8.722 -0.037 19232 3045 1 13 . 1 1 73 73 VAL N N 73 125.900 125.900 116.201 9.699 19232 3046 1 13 . 1 1 73 73 VAL H H 73 9.425 9.425 8.950 0.475 19232 3047 1 13 . 1 1 74 74 LYS N N 74 129.700 129.700 122.432 7.268 19232 3048 1 13 . 1 1 74 74 LYS H H 74 8.725 8.725 8.306 0.419 19232 3049 1 13 . 1 1 75 75 VAL N N 75 118.800 118.800 119.670 -0.870 19232 3050 1 13 . 1 1 75 75 VAL H H 75 8.385 8.385 8.329 0.056 19232 3051 1 13 . 1 1 76 76 TYR N N 76 114.800 114.800 124.878 -10.078 19232 3052 1 13 . 1 1 76 76 TYR H H 76 6.995 6.995 8.087 -1.092 19232 3053 1 13 . 1 1 77 77 SER N N 77 107.200 107.200 114.317 -7.117 19232 3054 1 13 . 1 1 77 77 SER H H 77 7.150 7.150 7.631 -0.481 19232 3055 1 13 . 1 1 78 78 ARG N N 78 124.900 124.900 123.805 1.095 19232 3056 1 13 . 1 1 78 78 ARG H H 78 9.225 9.225 8.874 0.351 19232 3057 1 13 . 1 1 79 79 HIS N N 79 119.900 119.900 115.909 3.991 19232 3058 1 13 . 1 1 79 79 HIS H H 79 9.105 9.105 8.142 0.963 19232 3059 1 13 . 1 1 80 80 GLU N N 80 118.200 118.200 119.384 -1.184 19232 3060 1 13 . 1 1 80 80 GLU H H 80 7.690 7.690 7.649 0.041 19232 3061 1 13 . 1 1 81 81 ALA N N 81 123.500 123.500 122.436 1.064 19232 3062 1 13 . 1 1 81 81 ALA H H 81 7.695 7.695 7.280 0.415 19232 3063 1 13 . 1 1 82 82 GLU N N 82 116.400 116.400 117.537 -1.137 19232 3064 1 13 . 1 1 82 82 GLU H H 82 8.450 8.450 7.675 0.775 19232 3065 1 13 . 1 1 83 83 ASN N N 83 118.500 118.500 116.247 2.253 19232 3066 1 13 . 1 1 83 83 ASN H H 83 7.835 7.835 7.530 0.305 19232 3067 1 13 . 1 1 84 84 VAL N N 84 118.300 118.300 121.345 -3.045 19232 3068 1 13 . 1 1 84 84 VAL H H 84 7.785 7.785 7.489 0.296 19232 3069 1 13 . 1 1 85 85 LEU N N 85 119.400 119.400 117.585 1.815 19232 3070 1 13 . 1 1 85 85 LEU H H 85 7.590 7.590 7.526 0.064 19232 3071 1 13 . 1 1 86 86 GLN N N 86 113.600 113.600 118.374 -4.774 19232 3072 1 13 . 1 1 86 86 GLN H H 86 7.985 7.985 7.716 0.269 19232 3073 1 13 . 1 1 87 87 ASN N N 87 112.000 112.000 117.976 -5.976 19232 3074 1 13 . 1 1 87 87 ASN H H 87 7.545 7.545 7.765 -0.220 19232 3075 1 13 . 1 1 88 88 PHE N N 88 121.900 121.900 115.314 6.586 19232 3076 1 13 . 1 1 88 88 PHE H H 88 8.265 8.265 8.743 -0.478 19232 3077 1 13 . 1 1 89 89 ASN N N 89 126.900 126.900 116.702 10.198 19232 3078 1 13 . 1 1 89 89 ASN H H 89 8.515 8.515 7.599 0.916 19232 3079 1 13 . 1 1 90 90 LYS N N 90 119.900 119.900 118.011 1.889 19232 3080 1 13 . 1 1 90 90 LYS H H 90 7.655 7.655 7.305 0.350 19232 3081 1 13 . 1 1 91 91 ASP N N 91 115.600 115.600 120.354 -4.754 19232 3082 1 13 . 1 1 91 91 ASP H H 91 8.050 8.050 7.789 0.261 19232 3083 1 13 . 1 1 92 92 GLY N N 92 108.400 108.400 108.603 -0.203 19232 3084 1 13 . 1 1 92 92 GLY H H 92 7.425 7.425 8.174 -0.749 19232 3085 1 13 . 1 1 93 93 ALA N N 93 122.000 122.000 120.004 1.996 19232 3086 1 13 . 1 1 93 93 ALA H H 93 7.545 7.545 8.060 -0.515 19232 3087 1 13 . 1 1 94 94 LEU N N 94 115.600 115.600 125.124 -9.524 19232 3088 1 13 . 1 1 94 94 LEU H H 94 8.455 8.455 8.282 0.173 19232 3089 1 13 . 1 1 96 96 LEU N N 96 115.700 115.700 121.300 -5.600 19232 3090 1 13 . 1 1 96 96 LEU H H 96 5.775 5.775 7.621 -1.846 19232 3091 1 13 . 1 1 97 97 ARG N N 97 123.300 123.300 125.311 -2.011 19232 3092 1 13 . 1 1 97 97 ARG H H 97 8.290 8.290 8.531 -0.241 19232 3093 1 13 . 1 1 98 98 THR N N 98 120.000 120.000 119.317 0.683 19232 3094 1 13 . 1 1 98 98 THR H H 98 8.280 8.280 8.336 -0.056 19232 3095 1 13 . 1 1 99 99 ARG N N 99 122.300 122.300 125.442 -3.142 19232 3096 1 13 . 1 1 99 99 ARG H H 99 9.005 9.005 9.100 -0.095 19232 3097 1 13 . 1 1 100 100 TRP N N 100 120.100 120.100 120.639 -0.539 19232 3098 1 13 . 1 1 100 100 TRP H H 100 8.325 8.325 8.212 0.113 19232 3099 1 13 . 1 1 101 101 GLY N N 101 107.300 107.300 107.137 0.163 19232 3100 1 13 . 1 1 101 101 GLY H H 101 8.940 8.940 8.820 0.120 19232 3101 1 13 . 1 1 102 102 VAL N N 102 119.800 119.800 118.983 0.817 19232 3102 1 13 . 1 1 102 102 VAL H H 102 8.130 8.130 8.183 -0.053 19232 3103 1 13 . 1 1 103 103 GLY N N 103 117.200 117.200 114.552 2.648 19232 3104 1 13 . 1 1 103 103 GLY H H 103 9.440 9.440 8.358 1.082 19232 3105 1 13 . 1 1 104 104 PHE N N 104 120.600 120.600 119.701 0.899 19232 3106 1 13 . 1 1 104 104 PHE H H 104 7.280 7.280 7.566 -0.286 19232 3107 1 13 . 1 1 105 105 GLY N N 105 117.100 117.100 108.874 8.226 19232 3108 1 13 . 1 1 105 105 GLY H H 105 8.565 8.565 7.840 0.725 19232 3109 1 13 . 1 1 109 109 CYS N N 109 115.300 115.300 120.249 -4.949 19232 3110 1 13 . 1 1 109 109 CYS H H 109 6.915 6.915 8.373 -1.458 19232 3111 1 13 . 1 1 110 110 CYS N N 110 119.000 119.000 121.353 -2.353 19232 3112 1 13 . 1 1 110 110 CYS H H 110 7.130 7.130 8.318 -1.188 19232 3113 1 13 . 1 1 111 111 ASP N N 111 128.800 128.800 119.680 9.120 19232 3114 1 13 . 1 1 111 111 ASP H H 111 8.245 8.245 7.450 0.795 19232 3115 1 13 . 1 1 112 112 TYR N N 112 124.400 124.400 124.053 0.347 19232 3116 1 13 . 1 1 112 112 TYR H H 112 8.425 8.425 8.964 -0.539 19232 3117 1 13 . 1 1 113 113 GLN N N 113 117.900 117.900 116.524 1.376 19232 3118 1 13 . 1 1 113 113 GLN H H 113 8.065 8.065 8.255 -0.190 19232 3119 1 13 . 1 1 114 114 HIS N N 114 114.200 114.200 116.904 -2.704 19232 3120 1 13 . 1 1 114 114 HIS H H 114 6.925 6.925 7.744 -0.819 19232 3121 1 13 . 1 1 115 115 GLY N N 115 109.200 109.200 106.644 2.556 19232 3122 1 13 . 1 1 115 115 GLY H H 115 8.430 8.430 7.551 0.879 19232 3123 1 13 . 1 1 116 116 TYR N N 116 115.800 115.800 120.542 -4.742 19232 3124 1 13 . 1 1 116 116 TYR H H 116 6.695 6.695 7.222 -0.527 19232 3125 1 13 . 1 1 117 117 SER N N 117 116.200 116.200 115.436 0.764 19232 3126 1 13 . 1 1 117 117 SER H H 117 8.745 8.745 7.584 1.161 19232 3127 1 13 . 1 1 118 118 ILE N N 118 126.500 126.500 125.472 1.028 19232 3128 1 13 . 1 1 118 118 ILE H H 118 7.560 7.560 8.392 -0.832 19232 3129 1 13 . 1 1 121 121 MET N N 121 124.000 124.000 113.075 10.925 19232 3130 1 13 . 1 1 121 121 MET H H 121 8.885 8.885 7.999 0.886 19232 3131 1 13 . 1 1 122 122 HIS N N 122 113.700 113.700 118.869 -5.169 19232 3132 1 13 . 1 1 122 122 HIS H H 122 7.855 7.855 8.604 -0.749 19232 3133 1 13 . 1 1 123 123 ARG N N 123 117.500 117.500 118.233 -0.733 19232 3134 1 13 . 1 1 123 123 ARG H H 123 7.320 7.320 8.090 -0.770 19232 3135 1 13 . 1 1 124 124 LEU N N 124 119.300 119.300 118.552 0.748 19232 3136 1 13 . 1 1 124 124 LEU H H 124 7.120 7.120 7.124 -0.004 19232 3137 1 13 . 1 1 125 125 THR N N 125 116.000 116.000 115.593 0.407 19232 3138 1 13 . 1 1 125 125 THR H H 125 9.485 9.485 8.306 1.179 19232 3139 1 13 . 1 1 126 126 ASP N N 126 121.700 121.700 121.994 -0.294 19232 3140 1 13 . 1 1 126 126 ASP H H 126 8.750 8.750 7.781 0.969 19232 3141 1 13 . 1 1 127 127 ALA N N 127 123.300 123.300 119.223 4.077 19232 3142 1 13 . 1 1 127 127 ALA H H 127 8.105 8.105 7.436 0.669 19232 3143 1 13 . 1 1 128 128 ASP N N 128 118.700 118.700 116.824 1.876 19232 3144 1 13 . 1 1 128 128 ASP H H 128 7.675 7.675 7.857 -0.182 19232 3145 1 13 . 1 1 129 129 LYS N N 129 120.100 120.100 118.430 1.670 19232 3146 1 13 . 1 1 129 129 LYS H H 129 7.985 7.985 7.577 0.408 19232 3147 1 13 . 1 1 130 130 LYS N N 130 121.500 121.500 119.411 2.089 19232 3148 1 13 . 1 1 130 130 LYS H H 130 7.705 7.705 7.417 0.288 19232 3149 1 13 . 1 1 131 131 TRP N N 131 122.200 122.200 118.322 3.878 19232 3150 1 13 . 1 1 131 131 TRP H H 131 8.905 8.905 7.597 1.308 19232 3151 1 13 . 1 1 132 132 SER N N 132 111.800 111.800 111.001 0.799 19232 3152 1 13 . 1 1 132 132 SER H H 132 7.880 7.880 7.656 0.224 19232 3153 1 13 . 1 1 133 133 VAL N N 133 110.900 110.900 118.713 -7.813 19232 3154 1 13 . 1 1 133 133 VAL H H 133 6.685 6.685 7.245 -0.560 19232 3155 1 13 . 1 1 134 134 SER N N 134 112.900 112.900 117.535 -4.635 19232 3156 1 13 . 1 1 134 134 SER H H 134 7.495 7.495 7.846 -0.351 19232 3157 1 13 . 1 1 135 135 ALA N N 135 125.800 125.800 123.316 2.484 19232 3158 1 13 . 1 1 135 135 ALA H H 135 7.735 7.735 8.016 -0.281 19232 3159 1 13 . 1 1 136 136 GLN N N 136 118.500 118.500 120.984 -2.484 19232 3160 1 13 . 1 1 136 136 GLN H H 136 8.825 8.825 8.780 0.045 19232 3161 1 13 . 1 1 137 137 TRP N N 137 120.200 120.200 113.966 6.234 19232 3162 1 13 . 1 1 137 137 TRP H H 137 8.385 8.385 7.906 0.479 19232 3163 1 13 . 1 1 138 138 GLY N N 138 107.300 107.300 106.518 0.782 19232 3164 1 13 . 1 1 138 138 GLY H H 138 8.400 8.400 7.721 0.679 19232 3165 1 13 . 1 1 139 139 GLY N N 139 101.600 101.600 107.638 -6.038 19232 3166 1 13 . 1 1 139 139 GLY H H 139 8.400 8.400 8.186 0.214 19232 3167 1 13 . 1 1 140 140 THR N N 140 107.900 107.900 111.818 -3.918 19232 3168 1 13 . 1 1 140 140 THR H H 140 8.495 8.495 8.675 -0.180 19232 3169 1 13 . 1 1 141 141 SER N N 141 120.200 120.200 110.784 9.416 19232 3170 1 13 . 1 1 141 141 SER H H 141 9.350 9.350 7.690 1.660 19232 3171 1 13 . 1 1 142 142 GLY N N 142 105.800 105.800 109.174 -3.374 19232 3172 1 13 . 1 1 142 142 GLY H H 142 7.880 7.880 8.197 -0.317 19232 3173 1 13 . 1 1 143 143 GLN N N 143 123.100 123.100 118.080 5.020 19232 3174 1 13 . 1 1 143 143 GLN H H 143 7.350 7.350 7.728 -0.378 19232 3175 1 13 . 1 1 145 145 LEU N N 145 118.500 118.500 116.277 2.223 19232 3176 1 13 . 1 1 145 145 LEU H H 145 8.130 8.130 7.876 0.254 19232 3177 1 13 . 1 1 146 146 VAL N N 146 116.600 116.600 110.938 5.662 19232 3178 1 13 . 1 1 146 146 VAL H H 146 6.550 6.550 7.617 -1.067 19232 3179 1 13 . 1 1 147 147 THR N N 147 117.400 117.400 109.542 7.858 19232 3180 1 13 . 1 1 147 147 THR H H 147 8.355 8.355 7.517 0.838 19232 3181 1 13 . 1 1 148 148 GLY N N 148 113.700 113.700 108.744 4.956 19232 3182 1 13 . 1 1 148 148 GLY H H 148 8.970 8.970 7.494 1.476 19232 3183 1 13 . 1 1 149 149 ILE N N 149 121.700 121.700 125.552 -3.852 19232 3184 1 13 . 1 1 149 149 ILE H H 149 7.865 7.865 7.628 0.237 19232 3185 1 13 . 1 1 150 150 VAL N N 150 125.800 125.800 116.569 9.231 19232 3186 1 13 . 1 1 150 150 VAL H H 150 8.120 8.120 7.823 0.297 19232 3187 1 13 . 1 1 151 151 PHE N N 151 118.300 118.300 120.238 -1.938 19232 3188 1 13 . 1 1 151 151 PHE H H 151 7.965 7.965 7.790 0.175 19232 3189 1 13 . 1 1 152 152 GLU N N 152 118.100 118.100 119.414 -1.314 19232 3190 1 13 . 1 1 152 152 GLU H H 152 9.530 9.530 7.599 1.931 19232 3191 1 13 . 1 1 158 158 VAL N N 158 126.000 126.000 125.927 0.073 19232 3192 1 13 . 1 1 158 158 VAL H H 158 8.200 8.200 8.608 -0.408 19232 3193 1 13 . 1 1 159 159 GLY N N 159 113.000 113.000 113.864 -0.864 19232 3194 1 13 . 1 1 159 159 GLY H H 159 8.440 8.440 7.903 0.537 19232 3195 1 13 . 1 1 160 160 GLU N N 160 120.700 120.700 120.980 -0.280 19232 3196 1 13 . 1 1 160 160 GLU H H 160 8.270 8.270 8.441 -0.171 19232 3197 1 13 . 1 1 162 162 VAL N N 162 120.000 120.000 118.079 1.921 19232 3198 1 13 . 1 1 162 162 VAL H H 162 7.960 7.960 8.195 -0.235 19232 3199 1 14 . 1 1 18 18 SER N N 18 122.200 122.200 112.452 9.748 19232 3200 1 14 . 1 1 18 18 SER H H 18 8.786 8.786 8.066 0.720 19232 3201 1 14 . 1 1 19 19 TYR N N 19 115.700 115.700 117.269 -1.569 19232 3202 1 14 . 1 1 19 19 TYR H H 19 8.135 8.135 8.069 0.066 19232 3203 1 14 . 1 1 20 20 ASP N N 20 126.400 126.400 122.056 4.344 19232 3204 1 14 . 1 1 20 20 ASP H H 20 9.595 9.595 8.328 1.267 19232 3205 1 14 . 1 1 22 22 THR N N 22 113.200 113.200 113.579 -0.379 19232 3206 1 14 . 1 1 22 22 THR H H 22 8.875 8.875 8.208 0.667 19232 3207 1 14 . 1 1 23 23 LEU N N 23 122.800 122.800 126.190 -3.390 19232 3208 1 14 . 1 1 23 23 LEU H H 23 6.765 6.765 8.257 -1.492 19232 3209 1 14 . 1 1 26 26 ASP N N 26 123.500 123.500 118.336 5.164 19232 3210 1 14 . 1 1 26 26 ASP H H 26 9.395 9.395 7.666 1.729 19232 3211 1 14 . 1 1 27 27 HIS N N 27 116.900 116.900 120.176 -3.276 19232 3212 1 14 . 1 1 27 27 HIS H H 27 7.965 7.965 8.717 -0.752 19232 3213 1 14 . 1 1 28 28 ILE N N 28 113.200 113.200 123.072 -9.872 19232 3214 1 14 . 1 1 28 28 ILE H H 28 8.115 8.115 8.185 -0.070 19232 3215 1 14 . 1 1 29 29 LYS N N 29 123.200 123.200 127.731 -4.531 19232 3216 1 14 . 1 1 29 29 LYS H H 29 8.610 8.610 8.317 0.293 19232 3217 1 14 . 1 1 30 30 VAL N N 30 122.300 122.300 116.851 5.449 19232 3218 1 14 . 1 1 30 30 VAL H H 30 8.130 8.130 7.548 0.582 19232 3219 1 14 . 1 1 31 31 TYR N N 31 124.000 124.000 116.394 7.606 19232 3220 1 14 . 1 1 31 31 TYR H H 31 8.520 8.520 7.500 1.020 19232 3221 1 14 . 1 1 32 32 SER N N 32 117.600 117.600 115.926 1.674 19232 3222 1 14 . 1 1 32 32 SER H H 32 7.295 7.295 7.855 -0.560 19232 3223 1 14 . 1 1 33 33 ARG N N 33 125.000 125.000 124.097 0.903 19232 3224 1 14 . 1 1 33 33 ARG H H 33 9.485 9.485 8.688 0.797 19232 3225 1 14 . 1 1 34 34 THR N N 34 119.400 119.400 116.092 3.308 19232 3226 1 14 . 1 1 34 34 THR H H 34 9.235 9.235 8.682 0.553 19232 3227 1 14 . 1 1 35 35 LEU N N 35 126.200 126.200 123.818 2.382 19232 3228 1 14 . 1 1 35 35 LEU H H 35 9.510 9.510 7.851 1.659 19232 3229 1 14 . 1 1 36 36 PHE N N 36 124.000 124.000 128.668 -4.668 19232 3230 1 14 . 1 1 36 36 PHE H H 36 8.820 8.820 9.397 -0.577 19232 3231 1 14 . 1 1 37 37 ILE N N 37 127.200 127.200 127.257 -0.057 19232 3232 1 14 . 1 1 37 37 ILE H H 37 8.260 8.260 7.507 0.753 19232 3233 1 14 . 1 1 38 38 GLY N N 38 112.400 112.400 111.583 0.817 19232 3234 1 14 . 1 1 38 38 GLY H H 38 8.670 8.670 8.708 -0.038 19232 3235 1 14 . 1 1 39 39 GLY N N 39 108.300 108.300 109.889 -1.589 19232 3236 1 14 . 1 1 39 39 GLY H H 39 8.360 8.360 8.036 0.324 19232 3237 1 14 . 1 1 40 40 VAL N N 40 121.200 121.200 115.898 5.302 19232 3238 1 14 . 1 1 40 40 VAL H H 40 7.380 7.380 7.781 -0.401 19232 3239 1 14 . 1 1 42 42 LEU N N 42 120.800 120.800 122.154 -1.354 19232 3240 1 14 . 1 1 42 42 LEU H H 42 8.225 8.225 7.941 0.284 19232 3241 1 14 . 1 1 43 43 ASN N N 43 112.300 112.300 117.429 -5.129 19232 3242 1 14 . 1 1 43 43 ASN H H 43 7.980 7.980 8.287 -0.307 19232 3243 1 14 . 1 1 44 44 MET N N 44 122.000 122.000 110.548 11.452 19232 3244 1 14 . 1 1 44 44 MET H H 44 7.470 7.470 7.468 0.002 19232 3245 1 14 . 1 1 45 45 LYS N N 45 124.100 124.100 121.048 3.052 19232 3246 1 14 . 1 1 45 45 LYS H H 45 8.945 8.945 7.432 1.513 19232 3247 1 14 . 1 1 46 46 GLU N N 46 122.400 122.400 127.007 -4.607 19232 3248 1 14 . 1 1 46 46 GLU H H 46 9.985 9.985 8.861 1.124 19232 3249 1 14 . 1 1 47 47 TRP N N 47 115.200 115.200 118.918 -3.718 19232 3250 1 14 . 1 1 47 47 TRP H H 47 7.840 7.840 7.886 -0.046 19232 3251 1 14 . 1 1 48 48 ASP N N 48 118.900 118.900 118.959 -0.059 19232 3252 1 14 . 1 1 48 48 ASP H H 48 6.700 6.700 7.939 -1.239 19232 3253 1 14 . 1 1 49 49 LEU N N 49 120.300 120.300 119.930 0.370 19232 3254 1 14 . 1 1 49 49 LEU H H 49 7.555 7.555 7.563 -0.008 19232 3255 1 14 . 1 1 50 50 ALA N N 50 118.800 118.800 121.368 -2.568 19232 3256 1 14 . 1 1 50 50 ALA H H 50 7.705 7.705 7.615 0.090 19232 3257 1 14 . 1 1 51 51 ASN N N 51 115.900 115.900 115.963 -0.063 19232 3258 1 14 . 1 1 51 51 ASN H H 51 7.805 7.805 7.795 0.010 19232 3259 1 14 . 1 1 52 52 VAL N N 52 116.000 116.000 112.279 3.721 19232 3260 1 14 . 1 1 52 52 VAL H H 52 7.855 7.855 7.302 0.553 19232 3261 1 14 . 1 1 53 53 LEU N N 53 116.700 116.700 119.389 -2.689 19232 3262 1 14 . 1 1 53 53 LEU H H 53 6.925 6.925 7.460 -0.535 19232 3263 1 14 . 1 1 54 54 LYS N N 54 122.400 122.400 121.260 1.140 19232 3264 1 14 . 1 1 54 54 LYS H H 54 7.120 7.120 7.519 -0.399 19232 3265 1 14 . 1 1 56 56 PHE N N 56 113.000 113.000 117.763 -4.763 19232 3266 1 14 . 1 1 56 56 PHE H H 56 8.285 8.285 7.950 0.335 19232 3267 1 14 . 1 1 57 57 ALA N N 57 119.300 119.300 118.125 1.175 19232 3268 1 14 . 1 1 57 57 ALA H H 57 8.155 8.155 7.240 0.915 19232 3269 1 14 . 1 1 58 58 GLU N N 58 119.300 119.300 120.376 -1.076 19232 3270 1 14 . 1 1 58 58 GLU H H 58 8.130 8.130 8.650 -0.520 19232 3271 1 14 . 1 1 59 59 VAL N N 59 124.200 124.200 124.131 0.069 19232 3272 1 14 . 1 1 59 59 VAL H H 59 7.800 7.800 7.831 -0.031 19232 3273 1 14 . 1 1 60 60 GLN N N 60 130.300 130.300 125.704 4.596 19232 3274 1 14 . 1 1 60 60 GLN H H 60 8.720 8.720 8.574 0.146 19232 3275 1 14 . 1 1 61 61 SER N N 61 111.000 111.000 117.629 -6.629 19232 3276 1 14 . 1 1 61 61 SER H H 61 7.560 7.560 7.845 -0.285 19232 3277 1 14 . 1 1 62 62 VAL N N 62 121.900 121.900 125.846 -3.946 19232 3278 1 14 . 1 1 62 62 VAL H H 62 8.310 8.310 8.636 -0.326 19232 3279 1 14 . 1 1 63 63 ILE N N 63 127.700 127.700 122.952 4.748 19232 3280 1 14 . 1 1 63 63 ILE H H 63 8.735 8.735 8.673 0.062 19232 3281 1 14 . 1 1 64 64 LEU N N 64 130.400 130.400 124.345 6.055 19232 3282 1 14 . 1 1 64 64 LEU H H 64 9.160 9.160 8.488 0.672 19232 3283 1 14 . 1 1 69 69 LYS N N 69 116.400 116.400 116.954 -0.554 19232 3284 1 14 . 1 1 69 69 LYS H H 69 7.665 7.665 8.145 -0.480 19232 3285 1 14 . 1 1 70 70 HIS N N 70 113.800 113.800 118.977 -5.177 19232 3286 1 14 . 1 1 70 70 HIS H H 70 7.510 7.510 7.533 -0.023 19232 3287 1 14 . 1 1 71 71 ALA N N 71 120.500 120.500 127.252 -6.752 19232 3288 1 14 . 1 1 71 71 ALA H H 71 8.745 8.745 7.884 0.861 19232 3289 1 14 . 1 1 72 72 PHE N N 72 118.100 118.100 121.478 -3.378 19232 3290 1 14 . 1 1 72 72 PHE H H 72 8.685 8.685 8.400 0.284 19232 3291 1 14 . 1 1 73 73 VAL N N 73 125.900 125.900 120.034 5.866 19232 3292 1 14 . 1 1 73 73 VAL H H 73 9.425 9.425 8.248 1.177 19232 3293 1 14 . 1 1 74 74 LYS N N 74 129.700 129.700 122.400 7.300 19232 3294 1 14 . 1 1 74 74 LYS H H 74 8.725 8.725 8.464 0.261 19232 3295 1 14 . 1 1 75 75 VAL N N 75 118.800 118.800 121.377 -2.577 19232 3296 1 14 . 1 1 75 75 VAL H H 75 8.385 8.385 8.359 0.026 19232 3297 1 14 . 1 1 76 76 TYR N N 76 114.800 114.800 124.675 -9.875 19232 3298 1 14 . 1 1 76 76 TYR H H 76 6.995 6.995 8.414 -1.419 19232 3299 1 14 . 1 1 77 77 SER N N 77 107.200 107.200 114.773 -7.573 19232 3300 1 14 . 1 1 77 77 SER H H 77 7.150 7.150 7.676 -0.526 19232 3301 1 14 . 1 1 78 78 ARG N N 78 124.900 124.900 125.657 -0.757 19232 3302 1 14 . 1 1 78 78 ARG H H 78 9.225 9.225 8.968 0.257 19232 3303 1 14 . 1 1 79 79 HIS N N 79 119.900 119.900 116.157 3.743 19232 3304 1 14 . 1 1 79 79 HIS H H 79 9.105 9.105 7.592 1.513 19232 3305 1 14 . 1 1 80 80 GLU N N 80 118.200 118.200 118.921 -0.721 19232 3306 1 14 . 1 1 80 80 GLU H H 80 7.690 7.690 7.558 0.132 19232 3307 1 14 . 1 1 81 81 ALA N N 81 123.500 123.500 122.877 0.623 19232 3308 1 14 . 1 1 81 81 ALA H H 81 7.695 7.695 7.506 0.189 19232 3309 1 14 . 1 1 82 82 GLU N N 82 116.400 116.400 116.337 0.063 19232 3310 1 14 . 1 1 82 82 GLU H H 82 8.450 8.450 7.529 0.921 19232 3311 1 14 . 1 1 83 83 ASN N N 83 118.500 118.500 117.072 1.428 19232 3312 1 14 . 1 1 83 83 ASN H H 83 7.835 7.835 7.555 0.280 19232 3313 1 14 . 1 1 84 84 VAL N N 84 118.300 118.300 121.313 -3.013 19232 3314 1 14 . 1 1 84 84 VAL H H 84 7.785 7.785 7.248 0.537 19232 3315 1 14 . 1 1 85 85 LEU N N 85 119.400 119.400 117.568 1.832 19232 3316 1 14 . 1 1 85 85 LEU H H 85 7.590 7.590 7.406 0.184 19232 3317 1 14 . 1 1 86 86 GLN N N 86 113.600 113.600 117.282 -3.682 19232 3318 1 14 . 1 1 86 86 GLN H H 86 7.985 7.985 7.531 0.454 19232 3319 1 14 . 1 1 87 87 ASN N N 87 112.000 112.000 117.596 -5.596 19232 3320 1 14 . 1 1 87 87 ASN H H 87 7.545 7.545 7.412 0.133 19232 3321 1 14 . 1 1 88 88 PHE N N 88 121.900 121.900 116.765 5.135 19232 3322 1 14 . 1 1 88 88 PHE H H 88 8.265 8.265 7.693 0.572 19232 3323 1 14 . 1 1 89 89 ASN N N 89 126.900 126.900 117.454 9.446 19232 3324 1 14 . 1 1 89 89 ASN H H 89 8.515 8.515 7.461 1.054 19232 3325 1 14 . 1 1 90 90 LYS N N 90 119.900 119.900 118.565 1.335 19232 3326 1 14 . 1 1 90 90 LYS H H 90 7.655 7.655 7.410 0.245 19232 3327 1 14 . 1 1 91 91 ASP N N 91 115.600 115.600 118.876 -3.276 19232 3328 1 14 . 1 1 91 91 ASP H H 91 8.050 8.050 7.786 0.264 19232 3329 1 14 . 1 1 92 92 GLY N N 92 108.400 108.400 108.593 -0.193 19232 3330 1 14 . 1 1 92 92 GLY H H 92 7.425 7.425 8.327 -0.902 19232 3331 1 14 . 1 1 93 93 ALA N N 93 122.000 122.000 120.419 1.581 19232 3332 1 14 . 1 1 93 93 ALA H H 93 7.545 7.545 8.410 -0.865 19232 3333 1 14 . 1 1 94 94 LEU N N 94 115.600 115.600 116.189 -0.589 19232 3334 1 14 . 1 1 94 94 LEU H H 94 8.455 8.455 8.074 0.381 19232 3335 1 14 . 1 1 96 96 LEU N N 96 115.700 115.700 114.441 1.259 19232 3336 1 14 . 1 1 96 96 LEU H H 96 5.775 5.775 7.176 -1.401 19232 3337 1 14 . 1 1 97 97 ARG N N 97 123.300 123.300 123.641 -0.341 19232 3338 1 14 . 1 1 97 97 ARG H H 97 8.290 8.290 8.330 -0.040 19232 3339 1 14 . 1 1 98 98 THR N N 98 120.000 120.000 117.584 2.416 19232 3340 1 14 . 1 1 98 98 THR H H 98 8.280 8.280 8.090 0.190 19232 3341 1 14 . 1 1 99 99 ARG N N 99 122.300 122.300 125.550 -3.250 19232 3342 1 14 . 1 1 99 99 ARG H H 99 9.005 9.005 8.775 0.230 19232 3343 1 14 . 1 1 100 100 TRP N N 100 120.100 120.100 123.090 -2.990 19232 3344 1 14 . 1 1 100 100 TRP H H 100 8.325 8.325 8.441 -0.116 19232 3345 1 14 . 1 1 101 101 GLY N N 101 107.300 107.300 107.051 0.249 19232 3346 1 14 . 1 1 101 101 GLY H H 101 8.940 8.940 8.308 0.632 19232 3347 1 14 . 1 1 102 102 VAL N N 102 119.800 119.800 119.896 -0.096 19232 3348 1 14 . 1 1 102 102 VAL H H 102 8.130 8.130 8.271 -0.141 19232 3349 1 14 . 1 1 103 103 GLY N N 103 117.200 117.200 113.649 3.551 19232 3350 1 14 . 1 1 103 103 GLY H H 103 9.440 9.440 8.274 1.166 19232 3351 1 14 . 1 1 104 104 PHE N N 104 120.600 120.600 122.855 -2.255 19232 3352 1 14 . 1 1 104 104 PHE H H 104 7.280 7.280 8.075 -0.795 19232 3353 1 14 . 1 1 105 105 GLY N N 105 117.100 117.100 109.660 7.440 19232 3354 1 14 . 1 1 105 105 GLY H H 105 8.565 8.565 8.360 0.205 19232 3355 1 14 . 1 1 109 109 CYS N N 109 115.300 115.300 118.967 -3.667 19232 3356 1 14 . 1 1 109 109 CYS H H 109 6.915 6.915 8.132 -1.217 19232 3357 1 14 . 1 1 110 110 CYS N N 110 119.000 119.000 120.484 -1.484 19232 3358 1 14 . 1 1 110 110 CYS H H 110 7.130 7.130 7.878 -0.748 19232 3359 1 14 . 1 1 111 111 ASP N N 111 128.800 128.800 125.361 3.439 19232 3360 1 14 . 1 1 111 111 ASP H H 111 8.245 8.245 8.638 -0.393 19232 3361 1 14 . 1 1 112 112 TYR N N 112 124.400 124.400 121.291 3.109 19232 3362 1 14 . 1 1 112 112 TYR H H 112 8.425 8.425 8.660 -0.235 19232 3363 1 14 . 1 1 113 113 GLN N N 113 117.900 117.900 116.980 0.920 19232 3364 1 14 . 1 1 113 113 GLN H H 113 8.065 8.065 8.271 -0.206 19232 3365 1 14 . 1 1 114 114 HIS N N 114 114.200 114.200 115.147 -0.947 19232 3366 1 14 . 1 1 114 114 HIS H H 114 6.925 6.925 8.034 -1.109 19232 3367 1 14 . 1 1 115 115 GLY N N 115 109.200 109.200 107.046 2.154 19232 3368 1 14 . 1 1 115 115 GLY H H 115 8.430 8.430 8.112 0.318 19232 3369 1 14 . 1 1 116 116 TYR N N 116 115.800 115.800 119.695 -3.895 19232 3370 1 14 . 1 1 116 116 TYR H H 116 6.695 6.695 7.822 -1.127 19232 3371 1 14 . 1 1 117 117 SER N N 117 116.200 116.200 116.281 -0.081 19232 3372 1 14 . 1 1 117 117 SER H H 117 8.745 8.745 7.861 0.884 19232 3373 1 14 . 1 1 118 118 ILE N N 118 126.500 126.500 125.034 1.466 19232 3374 1 14 . 1 1 118 118 ILE H H 118 7.560 7.560 8.283 -0.723 19232 3375 1 14 . 1 1 121 121 MET N N 121 124.000 124.000 115.502 8.498 19232 3376 1 14 . 1 1 121 121 MET H H 121 8.885 8.885 8.440 0.445 19232 3377 1 14 . 1 1 122 122 HIS N N 122 113.700 113.700 117.983 -4.283 19232 3378 1 14 . 1 1 122 122 HIS H H 122 7.855 7.855 7.646 0.209 19232 3379 1 14 . 1 1 123 123 ARG N N 123 117.500 117.500 119.871 -2.371 19232 3380 1 14 . 1 1 123 123 ARG H H 123 7.320 7.320 7.890 -0.570 19232 3381 1 14 . 1 1 124 124 LEU N N 124 119.300 119.300 119.834 -0.534 19232 3382 1 14 . 1 1 124 124 LEU H H 124 7.120 7.120 7.400 -0.280 19232 3383 1 14 . 1 1 125 125 THR N N 125 116.000 116.000 113.368 2.632 19232 3384 1 14 . 1 1 125 125 THR H H 125 9.485 9.485 7.663 1.822 19232 3385 1 14 . 1 1 126 126 ASP N N 126 121.700 121.700 121.082 0.618 19232 3386 1 14 . 1 1 126 126 ASP H H 126 8.750 8.750 7.635 1.115 19232 3387 1 14 . 1 1 127 127 ALA N N 127 123.300 123.300 119.086 4.214 19232 3388 1 14 . 1 1 127 127 ALA H H 127 8.105 8.105 7.340 0.765 19232 3389 1 14 . 1 1 128 128 ASP N N 128 118.700 118.700 116.518 2.182 19232 3390 1 14 . 1 1 128 128 ASP H H 128 7.675 7.675 7.866 -0.191 19232 3391 1 14 . 1 1 129 129 LYS N N 129 120.100 120.100 120.271 -0.171 19232 3392 1 14 . 1 1 129 129 LYS H H 129 7.985 7.985 7.538 0.447 19232 3393 1 14 . 1 1 130 130 LYS N N 130 121.500 121.500 117.803 3.697 19232 3394 1 14 . 1 1 130 130 LYS H H 130 7.705 7.705 7.348 0.357 19232 3395 1 14 . 1 1 131 131 TRP N N 131 122.200 122.200 117.683 4.517 19232 3396 1 14 . 1 1 131 131 TRP H H 131 8.905 8.905 7.391 1.514 19232 3397 1 14 . 1 1 132 132 SER N N 132 111.800 111.800 111.796 0.004 19232 3398 1 14 . 1 1 132 132 SER H H 132 7.880 7.880 7.639 0.241 19232 3399 1 14 . 1 1 133 133 VAL N N 133 110.900 110.900 118.432 -7.532 19232 3400 1 14 . 1 1 133 133 VAL H H 133 6.685 6.685 7.335 -0.650 19232 3401 1 14 . 1 1 134 134 SER N N 134 112.900 112.900 115.445 -2.545 19232 3402 1 14 . 1 1 134 134 SER H H 134 7.495 7.495 7.727 -0.232 19232 3403 1 14 . 1 1 135 135 ALA N N 135 125.800 125.800 124.052 1.748 19232 3404 1 14 . 1 1 135 135 ALA H H 135 7.735 7.735 7.423 0.312 19232 3405 1 14 . 1 1 136 136 GLN N N 136 118.500 118.500 119.435 -0.935 19232 3406 1 14 . 1 1 136 136 GLN H H 136 8.825 8.825 8.463 0.362 19232 3407 1 14 . 1 1 137 137 TRP N N 137 120.200 120.200 115.651 4.549 19232 3408 1 14 . 1 1 137 137 TRP H H 137 8.385 8.385 7.197 1.188 19232 3409 1 14 . 1 1 138 138 GLY N N 138 107.300 107.300 109.593 -2.293 19232 3410 1 14 . 1 1 138 138 GLY H H 138 8.400 8.400 7.285 1.115 19232 3411 1 14 . 1 1 139 139 GLY N N 139 101.600 101.600 107.799 -6.199 19232 3412 1 14 . 1 1 139 139 GLY H H 139 8.400 8.400 8.163 0.237 19232 3413 1 14 . 1 1 140 140 THR N N 140 107.900 107.900 116.941 -9.041 19232 3414 1 14 . 1 1 140 140 THR H H 140 8.495 8.495 8.433 0.062 19232 3415 1 14 . 1 1 141 141 SER N N 141 120.200 120.200 119.005 1.195 19232 3416 1 14 . 1 1 141 141 SER H H 141 9.350 9.350 8.520 0.830 19232 3417 1 14 . 1 1 142 142 GLY N N 142 105.800 105.800 105.984 -0.184 19232 3418 1 14 . 1 1 142 142 GLY H H 142 7.880 7.880 8.754 -0.874 19232 3419 1 14 . 1 1 143 143 GLN N N 143 123.100 123.100 119.826 3.274 19232 3420 1 14 . 1 1 143 143 GLN H H 143 7.350 7.350 7.815 -0.465 19232 3421 1 14 . 1 1 145 145 LEU N N 145 118.500 118.500 116.511 1.989 19232 3422 1 14 . 1 1 145 145 LEU H H 145 8.130 8.130 8.045 0.085 19232 3423 1 14 . 1 1 146 146 VAL N N 146 116.600 116.600 113.830 2.770 19232 3424 1 14 . 1 1 146 146 VAL H H 146 6.550 6.550 7.588 -1.038 19232 3425 1 14 . 1 1 147 147 THR N N 147 117.400 117.400 112.936 4.464 19232 3426 1 14 . 1 1 147 147 THR H H 147 8.355 8.355 7.329 1.026 19232 3427 1 14 . 1 1 148 148 GLY N N 148 113.700 113.700 109.062 4.638 19232 3428 1 14 . 1 1 148 148 GLY H H 148 8.970 8.970 7.763 1.207 19232 3429 1 14 . 1 1 149 149 ILE N N 149 121.700 121.700 120.892 0.808 19232 3430 1 14 . 1 1 149 149 ILE H H 149 7.865 7.865 7.629 0.236 19232 3431 1 14 . 1 1 150 150 VAL N N 150 125.800 125.800 110.892 14.908 19232 3432 1 14 . 1 1 150 150 VAL H H 150 8.120 8.120 7.906 0.214 19232 3433 1 14 . 1 1 151 151 PHE N N 151 118.300 118.300 118.182 0.118 19232 3434 1 14 . 1 1 151 151 PHE H H 151 7.965 7.965 7.567 0.398 19232 3435 1 14 . 1 1 152 152 GLU N N 152 118.100 118.100 120.562 -2.462 19232 3436 1 14 . 1 1 152 152 GLU H H 152 9.530 9.530 8.755 0.775 19232 3437 1 14 . 1 1 158 158 VAL N N 158 126.000 126.000 119.731 6.269 19232 3438 1 14 . 1 1 158 158 VAL H H 158 8.200 8.200 8.250 -0.050 19232 3439 1 14 . 1 1 159 159 GLY N N 159 113.000 113.000 112.129 0.871 19232 3440 1 14 . 1 1 159 159 GLY H H 159 8.440 8.440 8.176 0.264 19232 3441 1 14 . 1 1 160 160 GLU N N 160 120.700 120.700 117.687 3.013 19232 3442 1 14 . 1 1 160 160 GLU H H 160 8.270 8.270 8.228 0.042 19232 3443 1 14 . 1 1 162 162 VAL N N 162 120.000 120.000 119.712 0.288 19232 3444 1 14 . 1 1 162 162 VAL H H 162 7.960 7.960 8.254 -0.294 19232 3445 1 15 . 1 1 18 18 SER N N 18 122.200 122.200 123.984 -1.784 19232 3446 1 15 . 1 1 18 18 SER H H 18 8.786 8.786 8.956 -0.170 19232 3447 1 15 . 1 1 19 19 TYR N N 19 115.700 115.700 115.291 0.409 19232 3448 1 15 . 1 1 19 19 TYR H H 19 8.135 8.135 8.071 0.064 19232 3449 1 15 . 1 1 20 20 ASP N N 20 126.400 126.400 119.191 7.209 19232 3450 1 15 . 1 1 20 20 ASP H H 20 9.595 9.595 8.012 1.583 19232 3451 1 15 . 1 1 22 22 THR N N 22 113.200 113.200 111.604 1.596 19232 3452 1 15 . 1 1 22 22 THR H H 22 8.875 8.875 7.473 1.402 19232 3453 1 15 . 1 1 23 23 LEU N N 23 122.800 122.800 124.616 -1.816 19232 3454 1 15 . 1 1 23 23 LEU H H 23 6.765 6.765 8.701 -1.936 19232 3455 1 15 . 1 1 26 26 ASP N N 26 123.500 123.500 116.282 7.218 19232 3456 1 15 . 1 1 26 26 ASP H H 26 9.395 9.395 8.832 0.563 19232 3457 1 15 . 1 1 27 27 HIS N N 27 116.900 116.900 117.835 -0.935 19232 3458 1 15 . 1 1 27 27 HIS H H 27 7.965 7.965 7.875 0.090 19232 3459 1 15 . 1 1 28 28 ILE N N 28 113.200 113.200 125.831 -12.631 19232 3460 1 15 . 1 1 28 28 ILE H H 28 8.115 8.115 8.408 -0.293 19232 3461 1 15 . 1 1 29 29 LYS N N 29 123.200 123.200 127.955 -4.755 19232 3462 1 15 . 1 1 29 29 LYS H H 29 8.610 8.610 8.454 0.156 19232 3463 1 15 . 1 1 30 30 VAL N N 30 122.300 122.300 121.547 0.753 19232 3464 1 15 . 1 1 30 30 VAL H H 30 8.130 8.130 7.783 0.347 19232 3465 1 15 . 1 1 31 31 TYR N N 31 124.000 124.000 127.137 -3.137 19232 3466 1 15 . 1 1 31 31 TYR H H 31 8.520 8.520 8.412 0.108 19232 3467 1 15 . 1 1 32 32 SER N N 32 117.600 117.600 114.310 3.290 19232 3468 1 15 . 1 1 32 32 SER H H 32 7.295 7.295 8.676 -1.381 19232 3469 1 15 . 1 1 33 33 ARG N N 33 125.000 125.000 121.959 3.041 19232 3470 1 15 . 1 1 33 33 ARG H H 33 9.485 9.485 8.754 0.731 19232 3471 1 15 . 1 1 34 34 THR N N 34 119.400 119.400 117.532 1.868 19232 3472 1 15 . 1 1 34 34 THR H H 34 9.235 9.235 7.977 1.258 19232 3473 1 15 . 1 1 35 35 LEU N N 35 126.200 126.200 129.326 -3.126 19232 3474 1 15 . 1 1 35 35 LEU H H 35 9.510 9.510 8.361 1.149 19232 3475 1 15 . 1 1 36 36 PHE N N 36 124.000 124.000 127.473 -3.473 19232 3476 1 15 . 1 1 36 36 PHE H H 36 8.820 8.820 9.427 -0.607 19232 3477 1 15 . 1 1 37 37 ILE N N 37 127.200 127.200 125.095 2.105 19232 3478 1 15 . 1 1 37 37 ILE H H 37 8.260 8.260 7.597 0.663 19232 3479 1 15 . 1 1 38 38 GLY N N 38 112.400 112.400 111.439 0.961 19232 3480 1 15 . 1 1 38 38 GLY H H 38 8.670 8.670 8.384 0.286 19232 3481 1 15 . 1 1 39 39 GLY N N 39 108.300 108.300 108.659 -0.359 19232 3482 1 15 . 1 1 39 39 GLY H H 39 8.360 8.360 8.252 0.108 19232 3483 1 15 . 1 1 40 40 VAL N N 40 121.200 121.200 116.719 4.481 19232 3484 1 15 . 1 1 40 40 VAL H H 40 7.380 7.380 7.185 0.195 19232 3485 1 15 . 1 1 42 42 LEU N N 42 120.800 120.800 122.130 -1.330 19232 3486 1 15 . 1 1 42 42 LEU H H 42 8.225 8.225 7.726 0.499 19232 3487 1 15 . 1 1 43 43 ASN N N 43 112.300 112.300 121.682 -9.382 19232 3488 1 15 . 1 1 43 43 ASN H H 43 7.980 7.980 8.714 -0.734 19232 3489 1 15 . 1 1 44 44 MET N N 44 122.000 122.000 117.666 4.334 19232 3490 1 15 . 1 1 44 44 MET H H 44 7.470 7.470 7.769 -0.299 19232 3491 1 15 . 1 1 45 45 LYS N N 45 124.100 124.100 121.954 2.146 19232 3492 1 15 . 1 1 45 45 LYS H H 45 8.945 8.945 8.232 0.713 19232 3493 1 15 . 1 1 46 46 GLU N N 46 122.400 122.400 124.173 -1.773 19232 3494 1 15 . 1 1 46 46 GLU H H 46 9.985 9.985 8.893 1.092 19232 3495 1 15 . 1 1 47 47 TRP N N 47 115.200 115.200 118.328 -3.128 19232 3496 1 15 . 1 1 47 47 TRP H H 47 7.840 7.840 7.677 0.163 19232 3497 1 15 . 1 1 48 48 ASP N N 48 118.900 118.900 119.479 -0.579 19232 3498 1 15 . 1 1 48 48 ASP H H 48 6.700 6.700 8.056 -1.356 19232 3499 1 15 . 1 1 49 49 LEU N N 49 120.300 120.300 119.562 0.738 19232 3500 1 15 . 1 1 49 49 LEU H H 49 7.555 7.555 7.543 0.012 19232 3501 1 15 . 1 1 50 50 ALA N N 50 118.800 118.800 121.531 -2.731 19232 3502 1 15 . 1 1 50 50 ALA H H 50 7.705 7.705 7.598 0.107 19232 3503 1 15 . 1 1 51 51 ASN N N 51 115.900 115.900 116.028 -0.128 19232 3504 1 15 . 1 1 51 51 ASN H H 51 7.805 7.805 7.880 -0.075 19232 3505 1 15 . 1 1 52 52 VAL N N 52 116.000 116.000 110.277 5.723 19232 3506 1 15 . 1 1 52 52 VAL H H 52 7.855 7.855 7.264 0.591 19232 3507 1 15 . 1 1 53 53 LEU N N 53 116.700 116.700 119.601 -2.901 19232 3508 1 15 . 1 1 53 53 LEU H H 53 6.925 6.925 7.540 -0.615 19232 3509 1 15 . 1 1 54 54 LYS N N 54 122.400 122.400 121.211 1.189 19232 3510 1 15 . 1 1 54 54 LYS H H 54 7.120 7.120 7.567 -0.447 19232 3511 1 15 . 1 1 56 56 PHE N N 56 113.000 113.000 112.174 0.826 19232 3512 1 15 . 1 1 56 56 PHE H H 56 8.285 8.285 7.962 0.323 19232 3513 1 15 . 1 1 57 57 ALA N N 57 119.300 119.300 119.109 0.191 19232 3514 1 15 . 1 1 57 57 ALA H H 57 8.155 8.155 7.068 1.087 19232 3515 1 15 . 1 1 58 58 GLU N N 58 119.300 119.300 120.714 -1.414 19232 3516 1 15 . 1 1 58 58 GLU H H 58 8.130 8.130 8.639 -0.509 19232 3517 1 15 . 1 1 59 59 VAL N N 59 124.200 124.200 123.506 0.694 19232 3518 1 15 . 1 1 59 59 VAL H H 59 7.800 7.800 7.955 -0.155 19232 3519 1 15 . 1 1 60 60 GLN N N 60 130.300 130.300 125.856 4.444 19232 3520 1 15 . 1 1 60 60 GLN H H 60 8.720 8.720 8.771 -0.051 19232 3521 1 15 . 1 1 61 61 SER N N 61 111.000 111.000 114.569 -3.569 19232 3522 1 15 . 1 1 61 61 SER H H 61 7.560 7.560 7.696 -0.136 19232 3523 1 15 . 1 1 62 62 VAL N N 62 121.900 121.900 125.097 -3.197 19232 3524 1 15 . 1 1 62 62 VAL H H 62 8.310 8.310 8.386 -0.076 19232 3525 1 15 . 1 1 63 63 ILE N N 63 127.700 127.700 127.814 -0.114 19232 3526 1 15 . 1 1 63 63 ILE H H 63 8.735 8.735 9.006 -0.271 19232 3527 1 15 . 1 1 64 64 LEU N N 64 130.400 130.400 125.952 4.448 19232 3528 1 15 . 1 1 64 64 LEU H H 64 9.160 9.160 8.413 0.747 19232 3529 1 15 . 1 1 69 69 LYS N N 69 116.400 116.400 116.081 0.319 19232 3530 1 15 . 1 1 69 69 LYS H H 69 7.665 7.665 7.825 -0.160 19232 3531 1 15 . 1 1 70 70 HIS N N 70 113.800 113.800 116.014 -2.214 19232 3532 1 15 . 1 1 70 70 HIS H H 70 7.510 7.510 7.419 0.091 19232 3533 1 15 . 1 1 71 71 ALA N N 71 120.500 120.500 122.423 -1.923 19232 3534 1 15 . 1 1 71 71 ALA H H 71 8.745 8.745 7.666 1.079 19232 3535 1 15 . 1 1 72 72 PHE N N 72 118.100 118.100 119.873 -1.773 19232 3536 1 15 . 1 1 72 72 PHE H H 72 8.685 8.685 8.817 -0.132 19232 3537 1 15 . 1 1 73 73 VAL N N 73 125.900 125.900 115.675 10.225 19232 3538 1 15 . 1 1 73 73 VAL H H 73 9.425 9.425 9.260 0.165 19232 3539 1 15 . 1 1 74 74 LYS N N 74 129.700 129.700 123.114 6.586 19232 3540 1 15 . 1 1 74 74 LYS H H 74 8.725 8.725 8.491 0.234 19232 3541 1 15 . 1 1 75 75 VAL N N 75 118.800 118.800 120.244 -1.444 19232 3542 1 15 . 1 1 75 75 VAL H H 75 8.385 8.385 8.561 -0.176 19232 3543 1 15 . 1 1 76 76 TYR N N 76 114.800 114.800 124.152 -9.352 19232 3544 1 15 . 1 1 76 76 TYR H H 76 6.995 6.995 8.149 -1.154 19232 3545 1 15 . 1 1 77 77 SER N N 77 107.200 107.200 113.697 -6.497 19232 3546 1 15 . 1 1 77 77 SER H H 77 7.150 7.150 7.636 -0.486 19232 3547 1 15 . 1 1 78 78 ARG N N 78 124.900 124.900 125.310 -0.410 19232 3548 1 15 . 1 1 78 78 ARG H H 78 9.225 9.225 8.831 0.394 19232 3549 1 15 . 1 1 79 79 HIS N N 79 119.900 119.900 118.355 1.545 19232 3550 1 15 . 1 1 79 79 HIS H H 79 9.105 9.105 7.749 1.356 19232 3551 1 15 . 1 1 80 80 GLU N N 80 118.200 118.200 118.704 -0.504 19232 3552 1 15 . 1 1 80 80 GLU H H 80 7.690 7.690 7.776 -0.086 19232 3553 1 15 . 1 1 81 81 ALA N N 81 123.500 123.500 122.900 0.600 19232 3554 1 15 . 1 1 81 81 ALA H H 81 7.695 7.695 7.397 0.298 19232 3555 1 15 . 1 1 82 82 GLU N N 82 116.400 116.400 116.978 -0.578 19232 3556 1 15 . 1 1 82 82 GLU H H 82 8.450 8.450 7.774 0.676 19232 3557 1 15 . 1 1 83 83 ASN N N 83 118.500 118.500 117.167 1.333 19232 3558 1 15 . 1 1 83 83 ASN H H 83 7.835 7.835 7.529 0.306 19232 3559 1 15 . 1 1 84 84 VAL N N 84 118.300 118.300 121.035 -2.735 19232 3560 1 15 . 1 1 84 84 VAL H H 84 7.785 7.785 7.383 0.402 19232 3561 1 15 . 1 1 85 85 LEU N N 85 119.400 119.400 118.906 0.494 19232 3562 1 15 . 1 1 85 85 LEU H H 85 7.590 7.590 7.488 0.102 19232 3563 1 15 . 1 1 86 86 GLN N N 86 113.600 113.600 114.869 -1.269 19232 3564 1 15 . 1 1 86 86 GLN H H 86 7.985 7.985 7.506 0.479 19232 3565 1 15 . 1 1 87 87 ASN N N 87 112.000 112.000 118.006 -6.006 19232 3566 1 15 . 1 1 87 87 ASN H H 87 7.545 7.545 7.592 -0.047 19232 3567 1 15 . 1 1 88 88 PHE N N 88 121.900 121.900 116.157 5.743 19232 3568 1 15 . 1 1 88 88 PHE H H 88 8.265 8.265 7.623 0.642 19232 3569 1 15 . 1 1 89 89 ASN N N 89 126.900 126.900 116.520 10.380 19232 3570 1 15 . 1 1 89 89 ASN H H 89 8.515 8.515 7.651 0.864 19232 3571 1 15 . 1 1 90 90 LYS N N 90 119.900 119.900 118.163 1.737 19232 3572 1 15 . 1 1 90 90 LYS H H 90 7.655 7.655 7.642 0.013 19232 3573 1 15 . 1 1 91 91 ASP N N 91 115.600 115.600 119.365 -3.765 19232 3574 1 15 . 1 1 91 91 ASP H H 91 8.050 8.050 7.777 0.273 19232 3575 1 15 . 1 1 92 92 GLY N N 92 108.400 108.400 108.267 0.133 19232 3576 1 15 . 1 1 92 92 GLY H H 92 7.425 7.425 8.211 -0.786 19232 3577 1 15 . 1 1 93 93 ALA N N 93 122.000 122.000 121.749 0.251 19232 3578 1 15 . 1 1 93 93 ALA H H 93 7.545 7.545 8.092 -0.547 19232 3579 1 15 . 1 1 94 94 LEU N N 94 115.600 115.600 122.294 -6.694 19232 3580 1 15 . 1 1 94 94 LEU H H 94 8.455 8.455 8.594 -0.139 19232 3581 1 15 . 1 1 96 96 LEU N N 96 115.700 115.700 119.035 -3.335 19232 3582 1 15 . 1 1 96 96 LEU H H 96 5.775 5.775 7.438 -1.663 19232 3583 1 15 . 1 1 97 97 ARG N N 97 123.300 123.300 126.301 -3.001 19232 3584 1 15 . 1 1 97 97 ARG H H 97 8.290 8.290 8.892 -0.602 19232 3585 1 15 . 1 1 98 98 THR N N 98 120.000 120.000 121.243 -1.243 19232 3586 1 15 . 1 1 98 98 THR H H 98 8.280 8.280 7.561 0.719 19232 3587 1 15 . 1 1 99 99 ARG N N 99 122.300 122.300 126.157 -3.857 19232 3588 1 15 . 1 1 99 99 ARG H H 99 9.005 9.005 9.210 -0.205 19232 3589 1 15 . 1 1 100 100 TRP N N 100 120.100 120.100 120.880 -0.780 19232 3590 1 15 . 1 1 100 100 TRP H H 100 8.325 8.325 8.161 0.164 19232 3591 1 15 . 1 1 101 101 GLY N N 101 107.300 107.300 107.604 -0.304 19232 3592 1 15 . 1 1 101 101 GLY H H 101 8.940 8.940 8.925 0.015 19232 3593 1 15 . 1 1 102 102 VAL N N 102 119.800 119.800 119.463 0.337 19232 3594 1 15 . 1 1 102 102 VAL H H 102 8.130 8.130 8.497 -0.367 19232 3595 1 15 . 1 1 103 103 GLY N N 103 117.200 117.200 114.446 2.754 19232 3596 1 15 . 1 1 103 103 GLY H H 103 9.440 9.440 8.306 1.134 19232 3597 1 15 . 1 1 104 104 PHE N N 104 120.600 120.600 122.118 -1.518 19232 3598 1 15 . 1 1 104 104 PHE H H 104 7.280 7.280 7.834 -0.554 19232 3599 1 15 . 1 1 105 105 GLY N N 105 117.100 117.100 114.848 2.252 19232 3600 1 15 . 1 1 105 105 GLY H H 105 8.565 8.565 7.672 0.893 19232 3601 1 15 . 1 1 109 109 CYS N N 109 115.300 115.300 121.457 -6.157 19232 3602 1 15 . 1 1 109 109 CYS H H 109 6.915 6.915 8.840 -1.925 19232 3603 1 15 . 1 1 110 110 CYS N N 110 119.000 119.000 118.689 0.311 19232 3604 1 15 . 1 1 110 110 CYS H H 110 7.130 7.130 8.173 -1.043 19232 3605 1 15 . 1 1 111 111 ASP N N 111 128.800 128.800 119.242 9.558 19232 3606 1 15 . 1 1 111 111 ASP H H 111 8.245 8.245 7.668 0.577 19232 3607 1 15 . 1 1 112 112 TYR N N 112 124.400 124.400 120.030 4.370 19232 3608 1 15 . 1 1 112 112 TYR H H 112 8.425 8.425 8.623 -0.198 19232 3609 1 15 . 1 1 113 113 GLN N N 113 117.900 117.900 116.284 1.616 19232 3610 1 15 . 1 1 113 113 GLN H H 113 8.065 8.065 7.856 0.209 19232 3611 1 15 . 1 1 114 114 HIS N N 114 114.200 114.200 116.317 -2.117 19232 3612 1 15 . 1 1 114 114 HIS H H 114 6.925 6.925 7.729 -0.804 19232 3613 1 15 . 1 1 115 115 GLY N N 115 109.200 109.200 106.965 2.235 19232 3614 1 15 . 1 1 115 115 GLY H H 115 8.430 8.430 8.034 0.396 19232 3615 1 15 . 1 1 116 116 TYR N N 116 115.800 115.800 120.423 -4.623 19232 3616 1 15 . 1 1 116 116 TYR H H 116 6.695 6.695 7.602 -0.907 19232 3617 1 15 . 1 1 117 117 SER N N 117 116.200 116.200 113.393 2.807 19232 3618 1 15 . 1 1 117 117 SER H H 117 8.745 8.745 7.628 1.117 19232 3619 1 15 . 1 1 118 118 ILE N N 118 126.500 126.500 123.295 3.205 19232 3620 1 15 . 1 1 118 118 ILE H H 118 7.560 7.560 8.568 -1.008 19232 3621 1 15 . 1 1 121 121 MET N N 121 124.000 124.000 117.371 6.629 19232 3622 1 15 . 1 1 121 121 MET H H 121 8.885 8.885 8.365 0.520 19232 3623 1 15 . 1 1 122 122 HIS N N 122 113.700 113.700 116.925 -3.225 19232 3624 1 15 . 1 1 122 122 HIS H H 122 7.855 7.855 8.802 -0.947 19232 3625 1 15 . 1 1 123 123 ARG N N 123 117.500 117.500 118.598 -1.098 19232 3626 1 15 . 1 1 123 123 ARG H H 123 7.320 7.320 8.318 -0.998 19232 3627 1 15 . 1 1 124 124 LEU N N 124 119.300 119.300 121.616 -2.316 19232 3628 1 15 . 1 1 124 124 LEU H H 124 7.120 7.120 7.279 -0.159 19232 3629 1 15 . 1 1 125 125 THR N N 125 116.000 116.000 114.612 1.388 19232 3630 1 15 . 1 1 125 125 THR H H 125 9.485 9.485 7.943 1.542 19232 3631 1 15 . 1 1 126 126 ASP N N 126 121.700 121.700 121.549 0.151 19232 3632 1 15 . 1 1 126 126 ASP H H 126 8.750 8.750 7.705 1.045 19232 3633 1 15 . 1 1 127 127 ALA N N 127 123.300 123.300 120.036 3.264 19232 3634 1 15 . 1 1 127 127 ALA H H 127 8.105 8.105 7.370 0.735 19232 3635 1 15 . 1 1 128 128 ASP N N 128 118.700 118.700 117.219 1.481 19232 3636 1 15 . 1 1 128 128 ASP H H 128 7.675 7.675 7.717 -0.042 19232 3637 1 15 . 1 1 129 129 LYS N N 129 120.100 120.100 120.341 -0.241 19232 3638 1 15 . 1 1 129 129 LYS H H 129 7.985 7.985 7.517 0.468 19232 3639 1 15 . 1 1 130 130 LYS N N 130 121.500 121.500 119.127 2.373 19232 3640 1 15 . 1 1 130 130 LYS H H 130 7.705 7.705 7.387 0.318 19232 3641 1 15 . 1 1 131 131 TRP N N 131 122.200 122.200 115.166 7.034 19232 3642 1 15 . 1 1 131 131 TRP H H 131 8.905 8.905 7.300 1.605 19232 3643 1 15 . 1 1 132 132 SER N N 132 111.800 111.800 114.560 -2.760 19232 3644 1 15 . 1 1 132 132 SER H H 132 7.880 7.880 7.504 0.376 19232 3645 1 15 . 1 1 133 133 VAL N N 133 110.900 110.900 119.601 -8.701 19232 3646 1 15 . 1 1 133 133 VAL H H 133 6.685 6.685 7.284 -0.599 19232 3647 1 15 . 1 1 134 134 SER N N 134 112.900 112.900 116.567 -3.667 19232 3648 1 15 . 1 1 134 134 SER H H 134 7.495 7.495 7.883 -0.388 19232 3649 1 15 . 1 1 135 135 ALA N N 135 125.800 125.800 122.712 3.088 19232 3650 1 15 . 1 1 135 135 ALA H H 135 7.735 7.735 7.984 -0.249 19232 3651 1 15 . 1 1 136 136 GLN N N 136 118.500 118.500 119.218 -0.718 19232 3652 1 15 . 1 1 136 136 GLN H H 136 8.825 8.825 7.405 1.420 19232 3653 1 15 . 1 1 137 137 TRP N N 137 120.200 120.200 124.815 -4.615 19232 3654 1 15 . 1 1 137 137 TRP H H 137 8.385 8.385 8.544 -0.159 19232 3655 1 15 . 1 1 138 138 GLY N N 138 107.300 107.300 112.559 -5.259 19232 3656 1 15 . 1 1 138 138 GLY H H 138 8.400 8.400 8.305 0.095 19232 3657 1 15 . 1 1 139 139 GLY N N 139 101.600 101.600 105.923 -4.323 19232 3658 1 15 . 1 1 139 139 GLY H H 139 8.400 8.400 8.370 0.030 19232 3659 1 15 . 1 1 140 140 THR N N 140 107.900 107.900 114.003 -6.103 19232 3660 1 15 . 1 1 140 140 THR H H 140 8.495 8.495 8.315 0.180 19232 3661 1 15 . 1 1 141 141 SER N N 141 120.200 120.200 114.334 5.866 19232 3662 1 15 . 1 1 141 141 SER H H 141 9.350 9.350 8.546 0.804 19232 3663 1 15 . 1 1 142 142 GLY N N 142 105.800 105.800 107.658 -1.858 19232 3664 1 15 . 1 1 142 142 GLY H H 142 7.880 7.880 8.237 -0.357 19232 3665 1 15 . 1 1 143 143 GLN N N 143 123.100 123.100 117.001 6.099 19232 3666 1 15 . 1 1 143 143 GLN H H 143 7.350 7.350 7.694 -0.344 19232 3667 1 15 . 1 1 145 145 LEU N N 145 118.500 118.500 115.182 3.318 19232 3668 1 15 . 1 1 145 145 LEU H H 145 8.130 8.130 7.733 0.397 19232 3669 1 15 . 1 1 146 146 VAL N N 146 116.600 116.600 113.146 3.454 19232 3670 1 15 . 1 1 146 146 VAL H H 146 6.550 6.550 7.565 -1.015 19232 3671 1 15 . 1 1 147 147 THR N N 147 117.400 117.400 108.796 8.604 19232 3672 1 15 . 1 1 147 147 THR H H 147 8.355 8.355 7.556 0.799 19232 3673 1 15 . 1 1 148 148 GLY N N 148 113.700 113.700 109.932 3.768 19232 3674 1 15 . 1 1 148 148 GLY H H 148 8.970 8.970 8.088 0.882 19232 3675 1 15 . 1 1 149 149 ILE N N 149 121.700 121.700 119.730 1.970 19232 3676 1 15 . 1 1 149 149 ILE H H 149 7.865 7.865 7.488 0.377 19232 3677 1 15 . 1 1 150 150 VAL N N 150 125.800 125.800 111.560 14.240 19232 3678 1 15 . 1 1 150 150 VAL H H 150 8.120 8.120 7.825 0.295 19232 3679 1 15 . 1 1 151 151 PHE N N 151 118.300 118.300 118.002 0.298 19232 3680 1 15 . 1 1 151 151 PHE H H 151 7.965 7.965 7.533 0.432 19232 3681 1 15 . 1 1 152 152 GLU N N 152 118.100 118.100 121.376 -3.276 19232 3682 1 15 . 1 1 152 152 GLU H H 152 9.530 9.530 7.801 1.729 19232 3683 1 15 . 1 1 158 158 VAL N N 158 126.000 126.000 120.932 5.068 19232 3684 1 15 . 1 1 158 158 VAL H H 158 8.200 8.200 8.047 0.153 19232 3685 1 15 . 1 1 159 159 GLY N N 159 113.000 113.000 111.491 1.509 19232 3686 1 15 . 1 1 159 159 GLY H H 159 8.440 8.440 8.503 -0.063 19232 3687 1 15 . 1 1 160 160 GLU N N 160 120.700 120.700 120.875 -0.175 19232 3688 1 15 . 1 1 160 160 GLU H H 160 8.270 8.270 7.882 0.388 19232 3689 1 15 . 1 1 162 162 VAL N N 162 120.000 120.000 119.733 0.267 19232 3690 1 15 . 1 1 162 162 VAL H H 162 7.960 7.960 7.521 0.439 19232 3691 1 16 . 1 1 18 18 SER N N 18 122.200 122.200 121.074 1.126 19232 3692 1 16 . 1 1 18 18 SER H H 18 8.786 8.786 8.027 0.759 19232 3693 1 16 . 1 1 19 19 TYR N N 19 115.700 115.700 124.163 -8.463 19232 3694 1 16 . 1 1 19 19 TYR H H 19 8.135 8.135 8.413 -0.278 19232 3695 1 16 . 1 1 20 20 ASP N N 20 126.400 126.400 120.797 5.603 19232 3696 1 16 . 1 1 20 20 ASP H H 20 9.595 9.595 8.967 0.628 19232 3697 1 16 . 1 1 22 22 THR N N 22 113.200 113.200 114.005 -0.805 19232 3698 1 16 . 1 1 22 22 THR H H 22 8.875 8.875 8.276 0.599 19232 3699 1 16 . 1 1 23 23 LEU N N 23 122.800 122.800 124.452 -1.652 19232 3700 1 16 . 1 1 23 23 LEU H H 23 6.765 6.765 7.412 -0.647 19232 3701 1 16 . 1 1 26 26 ASP N N 26 123.500 123.500 120.816 2.684 19232 3702 1 16 . 1 1 26 26 ASP H H 26 9.395 9.395 8.844 0.551 19232 3703 1 16 . 1 1 27 27 HIS N N 27 116.900 116.900 119.077 -2.177 19232 3704 1 16 . 1 1 27 27 HIS H H 27 7.965 7.965 8.276 -0.311 19232 3705 1 16 . 1 1 28 28 ILE N N 28 113.200 113.200 126.806 -13.606 19232 3706 1 16 . 1 1 28 28 ILE H H 28 8.115 8.115 8.398 -0.283 19232 3707 1 16 . 1 1 29 29 LYS N N 29 123.200 123.200 127.238 -4.038 19232 3708 1 16 . 1 1 29 29 LYS H H 29 8.610 8.610 8.380 0.230 19232 3709 1 16 . 1 1 30 30 VAL N N 30 122.300 122.300 112.846 9.454 19232 3710 1 16 . 1 1 30 30 VAL H H 30 8.130 8.130 7.656 0.474 19232 3711 1 16 . 1 1 31 31 TYR N N 31 124.000 124.000 123.631 0.369 19232 3712 1 16 . 1 1 31 31 TYR H H 31 8.520 8.520 8.153 0.367 19232 3713 1 16 . 1 1 32 32 SER N N 32 117.600 117.600 123.532 -5.932 19232 3714 1 16 . 1 1 32 32 SER H H 32 7.295 7.295 8.396 -1.101 19232 3715 1 16 . 1 1 33 33 ARG N N 33 125.000 125.000 126.371 -1.371 19232 3716 1 16 . 1 1 33 33 ARG H H 33 9.485 9.485 8.338 1.147 19232 3717 1 16 . 1 1 34 34 THR N N 34 119.400 119.400 115.656 3.744 19232 3718 1 16 . 1 1 34 34 THR H H 34 9.235 9.235 7.592 1.643 19232 3719 1 16 . 1 1 35 35 LEU N N 35 126.200 126.200 127.859 -1.659 19232 3720 1 16 . 1 1 35 35 LEU H H 35 9.510 9.510 8.425 1.085 19232 3721 1 16 . 1 1 36 36 PHE N N 36 124.000 124.000 123.013 0.987 19232 3722 1 16 . 1 1 36 36 PHE H H 36 8.820 8.820 9.041 -0.221 19232 3723 1 16 . 1 1 37 37 ILE N N 37 127.200 127.200 118.983 8.217 19232 3724 1 16 . 1 1 37 37 ILE H H 37 8.260 8.260 8.703 -0.443 19232 3725 1 16 . 1 1 38 38 GLY N N 38 112.400 112.400 108.306 4.094 19232 3726 1 16 . 1 1 38 38 GLY H H 38 8.670 8.670 8.309 0.361 19232 3727 1 16 . 1 1 39 39 GLY N N 39 108.300 108.300 108.135 0.165 19232 3728 1 16 . 1 1 39 39 GLY H H 39 8.360 8.360 8.052 0.308 19232 3729 1 16 . 1 1 40 40 VAL N N 40 121.200 121.200 118.087 3.113 19232 3730 1 16 . 1 1 40 40 VAL H H 40 7.380 7.380 7.417 -0.037 19232 3731 1 16 . 1 1 42 42 LEU N N 42 120.800 120.800 116.794 4.006 19232 3732 1 16 . 1 1 42 42 LEU H H 42 8.225 8.225 7.394 0.831 19232 3733 1 16 . 1 1 43 43 ASN N N 43 112.300 112.300 121.823 -9.523 19232 3734 1 16 . 1 1 43 43 ASN H H 43 7.980 7.980 8.572 -0.592 19232 3735 1 16 . 1 1 44 44 MET N N 44 122.000 122.000 115.787 6.213 19232 3736 1 16 . 1 1 44 44 MET H H 44 7.470 7.470 7.568 -0.098 19232 3737 1 16 . 1 1 45 45 LYS N N 45 124.100 124.100 125.977 -1.877 19232 3738 1 16 . 1 1 45 45 LYS H H 45 8.945 8.945 8.145 0.800 19232 3739 1 16 . 1 1 46 46 GLU N N 46 122.400 122.400 125.590 -3.190 19232 3740 1 16 . 1 1 46 46 GLU H H 46 9.985 9.985 8.818 1.167 19232 3741 1 16 . 1 1 47 47 TRP N N 47 115.200 115.200 117.507 -2.307 19232 3742 1 16 . 1 1 47 47 TRP H H 47 7.840 7.840 7.834 0.006 19232 3743 1 16 . 1 1 48 48 ASP N N 48 118.900 118.900 119.706 -0.806 19232 3744 1 16 . 1 1 48 48 ASP H H 48 6.700 6.700 7.874 -1.174 19232 3745 1 16 . 1 1 49 49 LEU N N 49 120.300 120.300 119.934 0.366 19232 3746 1 16 . 1 1 49 49 LEU H H 49 7.555 7.555 7.574 -0.019 19232 3747 1 16 . 1 1 50 50 ALA N N 50 118.800 118.800 121.396 -2.596 19232 3748 1 16 . 1 1 50 50 ALA H H 50 7.705 7.705 7.630 0.075 19232 3749 1 16 . 1 1 51 51 ASN N N 51 115.900 115.900 115.898 0.002 19232 3750 1 16 . 1 1 51 51 ASN H H 51 7.805 7.805 7.818 -0.013 19232 3751 1 16 . 1 1 52 52 VAL N N 52 116.000 116.000 112.442 3.558 19232 3752 1 16 . 1 1 52 52 VAL H H 52 7.855 7.855 7.287 0.568 19232 3753 1 16 . 1 1 53 53 LEU N N 53 116.700 116.700 119.725 -3.025 19232 3754 1 16 . 1 1 53 53 LEU H H 53 6.925 6.925 7.456 -0.531 19232 3755 1 16 . 1 1 54 54 LYS N N 54 122.400 122.400 121.749 0.651 19232 3756 1 16 . 1 1 54 54 LYS H H 54 7.120 7.120 7.477 -0.357 19232 3757 1 16 . 1 1 56 56 PHE N N 56 113.000 113.000 116.582 -3.582 19232 3758 1 16 . 1 1 56 56 PHE H H 56 8.285 8.285 7.927 0.358 19232 3759 1 16 . 1 1 57 57 ALA N N 57 119.300 119.300 118.839 0.461 19232 3760 1 16 . 1 1 57 57 ALA H H 57 8.155 8.155 7.418 0.737 19232 3761 1 16 . 1 1 58 58 GLU N N 58 119.300 119.300 119.978 -0.678 19232 3762 1 16 . 1 1 58 58 GLU H H 58 8.130 8.130 8.923 -0.793 19232 3763 1 16 . 1 1 59 59 VAL N N 59 124.200 124.200 120.973 3.227 19232 3764 1 16 . 1 1 59 59 VAL H H 59 7.800 7.800 7.957 -0.157 19232 3765 1 16 . 1 1 60 60 GLN N N 60 130.300 130.300 126.495 3.805 19232 3766 1 16 . 1 1 60 60 GLN H H 60 8.720 8.720 8.631 0.089 19232 3767 1 16 . 1 1 61 61 SER N N 61 111.000 111.000 116.400 -5.400 19232 3768 1 16 . 1 1 61 61 SER H H 61 7.560 7.560 7.754 -0.194 19232 3769 1 16 . 1 1 62 62 VAL N N 62 121.900 121.900 126.306 -4.406 19232 3770 1 16 . 1 1 62 62 VAL H H 62 8.310 8.310 8.656 -0.346 19232 3771 1 16 . 1 1 63 63 ILE N N 63 127.700 127.700 123.753 3.947 19232 3772 1 16 . 1 1 63 63 ILE H H 63 8.735 8.735 9.260 -0.525 19232 3773 1 16 . 1 1 64 64 LEU N N 64 130.400 130.400 124.975 5.425 19232 3774 1 16 . 1 1 64 64 LEU H H 64 9.160 9.160 8.434 0.726 19232 3775 1 16 . 1 1 69 69 LYS N N 69 116.400 116.400 115.659 0.741 19232 3776 1 16 . 1 1 69 69 LYS H H 69 7.665 7.665 8.270 -0.605 19232 3777 1 16 . 1 1 70 70 HIS N N 70 113.800 113.800 114.279 -0.479 19232 3778 1 16 . 1 1 70 70 HIS H H 70 7.510 7.510 7.389 0.121 19232 3779 1 16 . 1 1 71 71 ALA N N 71 120.500 120.500 121.992 -1.492 19232 3780 1 16 . 1 1 71 71 ALA H H 71 8.745 8.745 8.961 -0.216 19232 3781 1 16 . 1 1 72 72 PHE N N 72 118.100 118.100 118.611 -0.511 19232 3782 1 16 . 1 1 72 72 PHE H H 72 8.685 8.685 9.211 -0.526 19232 3783 1 16 . 1 1 73 73 VAL N N 73 125.900 125.900 116.541 9.359 19232 3784 1 16 . 1 1 73 73 VAL H H 73 9.425 9.425 9.386 0.039 19232 3785 1 16 . 1 1 74 74 LYS N N 74 129.700 129.700 122.540 7.160 19232 3786 1 16 . 1 1 74 74 LYS H H 74 8.725 8.725 8.513 0.212 19232 3787 1 16 . 1 1 75 75 VAL N N 75 118.800 118.800 118.749 0.051 19232 3788 1 16 . 1 1 75 75 VAL H H 75 8.385 8.385 8.349 0.036 19232 3789 1 16 . 1 1 76 76 TYR N N 76 114.800 114.800 119.607 -4.807 19232 3790 1 16 . 1 1 76 76 TYR H H 76 6.995 6.995 8.453 -1.458 19232 3791 1 16 . 1 1 77 77 SER N N 77 107.200 107.200 115.127 -7.927 19232 3792 1 16 . 1 1 77 77 SER H H 77 7.150 7.150 7.582 -0.432 19232 3793 1 16 . 1 1 78 78 ARG N N 78 124.900 124.900 125.931 -1.031 19232 3794 1 16 . 1 1 78 78 ARG H H 78 9.225 9.225 8.890 0.335 19232 3795 1 16 . 1 1 79 79 HIS N N 79 119.900 119.900 117.893 2.007 19232 3796 1 16 . 1 1 79 79 HIS H H 79 9.105 9.105 7.718 1.387 19232 3797 1 16 . 1 1 80 80 GLU N N 80 118.200 118.200 120.191 -1.991 19232 3798 1 16 . 1 1 80 80 GLU H H 80 7.690 7.690 7.641 0.049 19232 3799 1 16 . 1 1 81 81 ALA N N 81 123.500 123.500 121.796 1.704 19232 3800 1 16 . 1 1 81 81 ALA H H 81 7.695 7.695 7.492 0.203 19232 3801 1 16 . 1 1 82 82 GLU N N 82 116.400 116.400 117.673 -1.273 19232 3802 1 16 . 1 1 82 82 GLU H H 82 8.450 8.450 7.726 0.724 19232 3803 1 16 . 1 1 83 83 ASN N N 83 118.500 118.500 117.439 1.061 19232 3804 1 16 . 1 1 83 83 ASN H H 83 7.835 7.835 7.605 0.230 19232 3805 1 16 . 1 1 84 84 VAL N N 84 118.300 118.300 121.447 -3.147 19232 3806 1 16 . 1 1 84 84 VAL H H 84 7.785 7.785 7.334 0.451 19232 3807 1 16 . 1 1 85 85 LEU N N 85 119.400 119.400 118.598 0.802 19232 3808 1 16 . 1 1 85 85 LEU H H 85 7.590 7.590 7.526 0.064 19232 3809 1 16 . 1 1 86 86 GLN N N 86 113.600 113.600 117.442 -3.842 19232 3810 1 16 . 1 1 86 86 GLN H H 86 7.985 7.985 7.582 0.403 19232 3811 1 16 . 1 1 87 87 ASN N N 87 112.000 112.000 115.976 -3.976 19232 3812 1 16 . 1 1 87 87 ASN H H 87 7.545 7.545 7.398 0.147 19232 3813 1 16 . 1 1 88 88 PHE N N 88 121.900 121.900 114.676 7.224 19232 3814 1 16 . 1 1 88 88 PHE H H 88 8.265 8.265 7.428 0.837 19232 3815 1 16 . 1 1 89 89 ASN N N 89 126.900 126.900 116.656 10.244 19232 3816 1 16 . 1 1 89 89 ASN H H 89 8.515 8.515 7.342 1.173 19232 3817 1 16 . 1 1 90 90 LYS N N 90 119.900 119.900 118.414 1.486 19232 3818 1 16 . 1 1 90 90 LYS H H 90 7.655 7.655 7.894 -0.239 19232 3819 1 16 . 1 1 91 91 ASP N N 91 115.600 115.600 119.912 -4.312 19232 3820 1 16 . 1 1 91 91 ASP H H 91 8.050 8.050 7.752 0.298 19232 3821 1 16 . 1 1 92 92 GLY N N 92 108.400 108.400 107.427 0.973 19232 3822 1 16 . 1 1 92 92 GLY H H 92 7.425 7.425 8.720 -1.295 19232 3823 1 16 . 1 1 93 93 ALA N N 93 122.000 122.000 121.000 1.000 19232 3824 1 16 . 1 1 93 93 ALA H H 93 7.545 7.545 8.072 -0.527 19232 3825 1 16 . 1 1 94 94 LEU N N 94 115.600 115.600 121.469 -5.869 19232 3826 1 16 . 1 1 94 94 LEU H H 94 8.455 8.455 7.963 0.492 19232 3827 1 16 . 1 1 96 96 LEU N N 96 115.700 115.700 119.878 -4.178 19232 3828 1 16 . 1 1 96 96 LEU H H 96 5.775 5.775 7.494 -1.719 19232 3829 1 16 . 1 1 97 97 ARG N N 97 123.300 123.300 123.364 -0.064 19232 3830 1 16 . 1 1 97 97 ARG H H 97 8.290 8.290 8.771 -0.481 19232 3831 1 16 . 1 1 98 98 THR N N 98 120.000 120.000 120.455 -0.455 19232 3832 1 16 . 1 1 98 98 THR H H 98 8.280 8.280 8.036 0.244 19232 3833 1 16 . 1 1 99 99 ARG N N 99 122.300 122.300 124.977 -2.677 19232 3834 1 16 . 1 1 99 99 ARG H H 99 9.005 9.005 8.536 0.469 19232 3835 1 16 . 1 1 100 100 TRP N N 100 120.100 120.100 120.578 -0.478 19232 3836 1 16 . 1 1 100 100 TRP H H 100 8.325 8.325 8.077 0.248 19232 3837 1 16 . 1 1 101 101 GLY N N 101 107.300 107.300 108.982 -1.682 19232 3838 1 16 . 1 1 101 101 GLY H H 101 8.940 8.940 8.994 -0.054 19232 3839 1 16 . 1 1 102 102 VAL N N 102 119.800 119.800 121.601 -1.801 19232 3840 1 16 . 1 1 102 102 VAL H H 102 8.130 8.130 8.478 -0.348 19232 3841 1 16 . 1 1 103 103 GLY N N 103 117.200 117.200 115.013 2.187 19232 3842 1 16 . 1 1 103 103 GLY H H 103 9.440 9.440 9.057 0.383 19232 3843 1 16 . 1 1 104 104 PHE N N 104 120.600 120.600 120.125 0.475 19232 3844 1 16 . 1 1 104 104 PHE H H 104 7.280 7.280 7.672 -0.392 19232 3845 1 16 . 1 1 105 105 GLY N N 105 117.100 117.100 111.727 5.373 19232 3846 1 16 . 1 1 105 105 GLY H H 105 8.565 8.565 7.657 0.908 19232 3847 1 16 . 1 1 109 109 CYS N N 109 115.300 115.300 121.732 -6.432 19232 3848 1 16 . 1 1 109 109 CYS H H 109 6.915 6.915 8.162 -1.247 19232 3849 1 16 . 1 1 110 110 CYS N N 110 119.000 119.000 120.967 -1.967 19232 3850 1 16 . 1 1 110 110 CYS H H 110 7.130 7.130 8.088 -0.958 19232 3851 1 16 . 1 1 111 111 ASP N N 111 128.800 128.800 124.136 4.664 19232 3852 1 16 . 1 1 111 111 ASP H H 111 8.245 8.245 8.413 -0.168 19232 3853 1 16 . 1 1 112 112 TYR N N 112 124.400 124.400 122.667 1.733 19232 3854 1 16 . 1 1 112 112 TYR H H 112 8.425 8.425 8.635 -0.210 19232 3855 1 16 . 1 1 113 113 GLN N N 113 117.900 117.900 116.757 1.143 19232 3856 1 16 . 1 1 113 113 GLN H H 113 8.065 8.065 8.593 -0.528 19232 3857 1 16 . 1 1 114 114 HIS N N 114 114.200 114.200 115.351 -1.151 19232 3858 1 16 . 1 1 114 114 HIS H H 114 6.925 6.925 8.346 -1.421 19232 3859 1 16 . 1 1 115 115 GLY N N 115 109.200 109.200 109.090 0.110 19232 3860 1 16 . 1 1 115 115 GLY H H 115 8.430 8.430 7.920 0.510 19232 3861 1 16 . 1 1 116 116 TYR N N 116 115.800 115.800 122.319 -6.519 19232 3862 1 16 . 1 1 116 116 TYR H H 116 6.695 6.695 7.628 -0.933 19232 3863 1 16 . 1 1 117 117 SER N N 117 116.200 116.200 114.672 1.528 19232 3864 1 16 . 1 1 117 117 SER H H 117 8.745 8.745 7.688 1.057 19232 3865 1 16 . 1 1 118 118 ILE N N 118 126.500 126.500 125.796 0.704 19232 3866 1 16 . 1 1 118 118 ILE H H 118 7.560 7.560 8.643 -1.083 19232 3867 1 16 . 1 1 121 121 MET N N 121 124.000 124.000 116.523 7.477 19232 3868 1 16 . 1 1 121 121 MET H H 121 8.885 8.885 7.591 1.294 19232 3869 1 16 . 1 1 122 122 HIS N N 122 113.700 113.700 116.266 -2.566 19232 3870 1 16 . 1 1 122 122 HIS H H 122 7.855 7.855 8.047 -0.192 19232 3871 1 16 . 1 1 123 123 ARG N N 123 117.500 117.500 120.005 -2.505 19232 3872 1 16 . 1 1 123 123 ARG H H 123 7.320 7.320 7.623 -0.303 19232 3873 1 16 . 1 1 124 124 LEU N N 124 119.300 119.300 119.908 -0.608 19232 3874 1 16 . 1 1 124 124 LEU H H 124 7.120 7.120 7.950 -0.830 19232 3875 1 16 . 1 1 125 125 THR N N 125 116.000 116.000 107.651 8.349 19232 3876 1 16 . 1 1 125 125 THR H H 125 9.485 9.485 8.018 1.467 19232 3877 1 16 . 1 1 126 126 ASP N N 126 121.700 121.700 122.408 -0.708 19232 3878 1 16 . 1 1 126 126 ASP H H 126 8.750 8.750 7.799 0.951 19232 3879 1 16 . 1 1 127 127 ALA N N 127 123.300 123.300 119.575 3.725 19232 3880 1 16 . 1 1 127 127 ALA H H 127 8.105 8.105 7.559 0.546 19232 3881 1 16 . 1 1 128 128 ASP N N 128 118.700 118.700 117.717 0.983 19232 3882 1 16 . 1 1 128 128 ASP H H 128 7.675 7.675 7.813 -0.138 19232 3883 1 16 . 1 1 129 129 LYS N N 129 120.100 120.100 118.920 1.180 19232 3884 1 16 . 1 1 129 129 LYS H H 129 7.985 7.985 7.522 0.463 19232 3885 1 16 . 1 1 130 130 LYS N N 130 121.500 121.500 118.667 2.833 19232 3886 1 16 . 1 1 130 130 LYS H H 130 7.705 7.705 7.354 0.351 19232 3887 1 16 . 1 1 131 131 TRP N N 131 122.200 122.200 118.324 3.876 19232 3888 1 16 . 1 1 131 131 TRP H H 131 8.905 8.905 7.384 1.521 19232 3889 1 16 . 1 1 132 132 SER N N 132 111.800 111.800 110.950 0.850 19232 3890 1 16 . 1 1 132 132 SER H H 132 7.880 7.880 7.681 0.199 19232 3891 1 16 . 1 1 133 133 VAL N N 133 110.900 110.900 118.608 -7.708 19232 3892 1 16 . 1 1 133 133 VAL H H 133 6.685 6.685 7.302 -0.617 19232 3893 1 16 . 1 1 134 134 SER N N 134 112.900 112.900 118.137 -5.237 19232 3894 1 16 . 1 1 134 134 SER H H 134 7.495 7.495 7.831 -0.336 19232 3895 1 16 . 1 1 135 135 ALA N N 135 125.800 125.800 122.143 3.657 19232 3896 1 16 . 1 1 135 135 ALA H H 135 7.735 7.735 8.382 -0.647 19232 3897 1 16 . 1 1 136 136 GLN N N 136 118.500 118.500 117.725 0.775 19232 3898 1 16 . 1 1 136 136 GLN H H 136 8.825 8.825 8.532 0.293 19232 3899 1 16 . 1 1 137 137 TRP N N 137 120.200 120.200 118.426 1.774 19232 3900 1 16 . 1 1 137 137 TRP H H 137 8.385 8.385 7.607 0.778 19232 3901 1 16 . 1 1 138 138 GLY N N 138 107.300 107.300 105.346 1.954 19232 3902 1 16 . 1 1 138 138 GLY H H 138 8.400 8.400 7.832 0.568 19232 3903 1 16 . 1 1 139 139 GLY N N 139 101.600 101.600 106.935 -5.335 19232 3904 1 16 . 1 1 139 139 GLY H H 139 8.400 8.400 7.974 0.426 19232 3905 1 16 . 1 1 140 140 THR N N 140 107.900 107.900 114.900 -7.000 19232 3906 1 16 . 1 1 140 140 THR H H 140 8.495 8.495 8.167 0.328 19232 3907 1 16 . 1 1 141 141 SER N N 141 120.200 120.200 114.729 5.471 19232 3908 1 16 . 1 1 141 141 SER H H 141 9.350 9.350 8.760 0.590 19232 3909 1 16 . 1 1 142 142 GLY N N 142 105.800 105.800 104.546 1.254 19232 3910 1 16 . 1 1 142 142 GLY H H 142 7.880 7.880 7.894 -0.014 19232 3911 1 16 . 1 1 143 143 GLN N N 143 123.100 123.100 117.739 5.361 19232 3912 1 16 . 1 1 143 143 GLN H H 143 7.350 7.350 8.267 -0.917 19232 3913 1 16 . 1 1 145 145 LEU N N 145 118.500 118.500 115.743 2.757 19232 3914 1 16 . 1 1 145 145 LEU H H 145 8.130 8.130 7.697 0.433 19232 3915 1 16 . 1 1 146 146 VAL N N 146 116.600 116.600 112.881 3.719 19232 3916 1 16 . 1 1 146 146 VAL H H 146 6.550 6.550 7.634 -1.084 19232 3917 1 16 . 1 1 147 147 THR N N 147 117.400 117.400 115.545 1.855 19232 3918 1 16 . 1 1 147 147 THR H H 147 8.355 8.355 7.219 1.136 19232 3919 1 16 . 1 1 148 148 GLY N N 148 113.700 113.700 109.619 4.081 19232 3920 1 16 . 1 1 148 148 GLY H H 148 8.970 8.970 7.577 1.393 19232 3921 1 16 . 1 1 149 149 ILE N N 149 121.700 121.700 119.543 2.157 19232 3922 1 16 . 1 1 149 149 ILE H H 149 7.865 7.865 7.489 0.376 19232 3923 1 16 . 1 1 150 150 VAL N N 150 125.800 125.800 119.598 6.202 19232 3924 1 16 . 1 1 150 150 VAL H H 150 8.120 8.120 7.617 0.503 19232 3925 1 16 . 1 1 151 151 PHE N N 151 118.300 118.300 121.513 -3.213 19232 3926 1 16 . 1 1 151 151 PHE H H 151 7.965 7.965 7.888 0.077 19232 3927 1 16 . 1 1 152 152 GLU N N 152 118.100 118.100 121.365 -3.265 19232 3928 1 16 . 1 1 152 152 GLU H H 152 9.530 9.530 7.078 2.452 19232 3929 1 16 . 1 1 158 158 VAL N N 158 126.000 126.000 123.394 2.606 19232 3930 1 16 . 1 1 158 158 VAL H H 158 8.200 8.200 8.362 -0.162 19232 3931 1 16 . 1 1 159 159 GLY N N 159 113.000 113.000 110.683 2.317 19232 3932 1 16 . 1 1 159 159 GLY H H 159 8.440 8.440 7.976 0.464 19232 3933 1 16 . 1 1 160 160 GLU N N 160 120.700 120.700 117.993 2.707 19232 3934 1 16 . 1 1 160 160 GLU H H 160 8.270 8.270 8.526 -0.256 19232 3935 1 16 . 1 1 162 162 VAL N N 162 120.000 120.000 117.957 2.043 19232 3936 1 16 . 1 1 162 162 VAL H H 162 7.960 7.960 7.896 0.064 19232 3937 1 17 . 1 1 18 18 SER N N 18 122.200 122.200 114.494 7.706 19232 3938 1 17 . 1 1 18 18 SER H H 18 8.786 8.786 8.114 0.672 19232 3939 1 17 . 1 1 19 19 TYR N N 19 115.700 115.700 120.531 -4.831 19232 3940 1 17 . 1 1 19 19 TYR H H 19 8.135 8.135 8.394 -0.259 19232 3941 1 17 . 1 1 20 20 ASP N N 20 126.400 126.400 118.050 8.350 19232 3942 1 17 . 1 1 20 20 ASP H H 20 9.595 9.595 7.746 1.849 19232 3943 1 17 . 1 1 22 22 THR N N 22 113.200 113.200 116.238 -3.038 19232 3944 1 17 . 1 1 22 22 THR H H 22 8.875 8.875 8.599 0.276 19232 3945 1 17 . 1 1 23 23 LEU N N 23 122.800 122.800 123.067 -0.267 19232 3946 1 17 . 1 1 23 23 LEU H H 23 6.765 6.765 8.182 -1.417 19232 3947 1 17 . 1 1 26 26 ASP N N 26 123.500 123.500 120.225 3.275 19232 3948 1 17 . 1 1 26 26 ASP H H 26 9.395 9.395 7.847 1.548 19232 3949 1 17 . 1 1 27 27 HIS N N 27 116.900 116.900 117.255 -0.355 19232 3950 1 17 . 1 1 27 27 HIS H H 27 7.965 7.965 8.179 -0.214 19232 3951 1 17 . 1 1 28 28 ILE N N 28 113.200 113.200 119.121 -5.921 19232 3952 1 17 . 1 1 28 28 ILE H H 28 8.115 8.115 7.298 0.817 19232 3953 1 17 . 1 1 29 29 LYS N N 29 123.200 123.200 126.529 -3.329 19232 3954 1 17 . 1 1 29 29 LYS H H 29 8.610 8.610 8.778 -0.168 19232 3955 1 17 . 1 1 30 30 VAL N N 30 122.300 122.300 117.030 5.270 19232 3956 1 17 . 1 1 30 30 VAL H H 30 8.130 8.130 7.862 0.268 19232 3957 1 17 . 1 1 31 31 TYR N N 31 124.000 124.000 119.437 4.563 19232 3958 1 17 . 1 1 31 31 TYR H H 31 8.520 8.520 8.031 0.489 19232 3959 1 17 . 1 1 32 32 SER N N 32 117.600 117.600 117.667 -0.067 19232 3960 1 17 . 1 1 32 32 SER H H 32 7.295 7.295 8.070 -0.775 19232 3961 1 17 . 1 1 33 33 ARG N N 33 125.000 125.000 126.365 -1.365 19232 3962 1 17 . 1 1 33 33 ARG H H 33 9.485 9.485 8.659 0.826 19232 3963 1 17 . 1 1 34 34 THR N N 34 119.400 119.400 115.645 3.755 19232 3964 1 17 . 1 1 34 34 THR H H 34 9.235 9.235 7.713 1.522 19232 3965 1 17 . 1 1 35 35 LEU N N 35 126.200 126.200 125.257 0.943 19232 3966 1 17 . 1 1 35 35 LEU H H 35 9.510 9.510 7.883 1.627 19232 3967 1 17 . 1 1 36 36 PHE N N 36 124.000 124.000 127.739 -3.739 19232 3968 1 17 . 1 1 36 36 PHE H H 36 8.820 8.820 9.303 -0.483 19232 3969 1 17 . 1 1 37 37 ILE N N 37 127.200 127.200 123.694 3.506 19232 3970 1 17 . 1 1 37 37 ILE H H 37 8.260 8.260 8.278 -0.018 19232 3971 1 17 . 1 1 38 38 GLY N N 38 112.400 112.400 110.830 1.570 19232 3972 1 17 . 1 1 38 38 GLY H H 38 8.670 8.670 8.794 -0.124 19232 3973 1 17 . 1 1 39 39 GLY N N 39 108.300 108.300 107.914 0.386 19232 3974 1 17 . 1 1 39 39 GLY H H 39 8.360 8.360 8.295 0.065 19232 3975 1 17 . 1 1 40 40 VAL N N 40 121.200 121.200 117.442 3.758 19232 3976 1 17 . 1 1 40 40 VAL H H 40 7.380 7.380 7.335 0.045 19232 3977 1 17 . 1 1 42 42 LEU N N 42 120.800 120.800 120.900 -0.100 19232 3978 1 17 . 1 1 42 42 LEU H H 42 8.225 8.225 7.626 0.599 19232 3979 1 17 . 1 1 43 43 ASN N N 43 112.300 112.300 121.082 -8.782 19232 3980 1 17 . 1 1 43 43 ASN H H 43 7.980 7.980 8.862 -0.882 19232 3981 1 17 . 1 1 44 44 MET N N 44 122.000 122.000 115.309 6.691 19232 3982 1 17 . 1 1 44 44 MET H H 44 7.470 7.470 7.646 -0.176 19232 3983 1 17 . 1 1 45 45 LYS N N 45 124.100 124.100 118.608 5.492 19232 3984 1 17 . 1 1 45 45 LYS H H 45 8.945 8.945 7.867 1.078 19232 3985 1 17 . 1 1 46 46 GLU N N 46 122.400 122.400 124.333 -1.933 19232 3986 1 17 . 1 1 46 46 GLU H H 46 9.985 9.985 8.861 1.124 19232 3987 1 17 . 1 1 47 47 TRP N N 47 115.200 115.200 119.139 -3.939 19232 3988 1 17 . 1 1 47 47 TRP H H 47 7.840 7.840 7.810 0.030 19232 3989 1 17 . 1 1 48 48 ASP N N 48 118.900 118.900 118.983 -0.083 19232 3990 1 17 . 1 1 48 48 ASP H H 48 6.700 6.700 7.700 -1.000 19232 3991 1 17 . 1 1 49 49 LEU N N 49 120.300 120.300 119.740 0.560 19232 3992 1 17 . 1 1 49 49 LEU H H 49 7.555 7.555 7.584 -0.029 19232 3993 1 17 . 1 1 50 50 ALA N N 50 118.800 118.800 120.951 -2.151 19232 3994 1 17 . 1 1 50 50 ALA H H 50 7.705 7.705 7.532 0.173 19232 3995 1 17 . 1 1 51 51 ASN N N 51 115.900 115.900 115.779 0.121 19232 3996 1 17 . 1 1 51 51 ASN H H 51 7.805 7.805 7.950 -0.145 19232 3997 1 17 . 1 1 52 52 VAL N N 52 116.000 116.000 111.081 4.919 19232 3998 1 17 . 1 1 52 52 VAL H H 52 7.855 7.855 7.105 0.750 19232 3999 1 17 . 1 1 53 53 LEU N N 53 116.700 116.700 119.502 -2.802 19232 4000 1 17 . 1 1 53 53 LEU H H 53 6.925 6.925 7.582 -0.657 19232 4001 1 17 . 1 1 54 54 LYS N N 54 122.400 122.400 120.991 1.409 19232 4002 1 17 . 1 1 54 54 LYS H H 54 7.120 7.120 7.526 -0.406 19232 4003 1 17 . 1 1 56 56 PHE N N 56 113.000 113.000 117.189 -4.189 19232 4004 1 17 . 1 1 56 56 PHE H H 56 8.285 8.285 7.896 0.389 19232 4005 1 17 . 1 1 57 57 ALA N N 57 119.300 119.300 118.498 0.802 19232 4006 1 17 . 1 1 57 57 ALA H H 57 8.155 8.155 7.256 0.899 19232 4007 1 17 . 1 1 58 58 GLU N N 58 119.300 119.300 119.536 -0.236 19232 4008 1 17 . 1 1 58 58 GLU H H 58 8.130 8.130 8.582 -0.452 19232 4009 1 17 . 1 1 59 59 VAL N N 59 124.200 124.200 121.071 3.129 19232 4010 1 17 . 1 1 59 59 VAL H H 59 7.800 7.800 8.202 -0.402 19232 4011 1 17 . 1 1 60 60 GLN N N 60 130.300 130.300 126.929 3.371 19232 4012 1 17 . 1 1 60 60 GLN H H 60 8.720 8.720 8.920 -0.200 19232 4013 1 17 . 1 1 61 61 SER N N 61 111.000 111.000 115.590 -4.590 19232 4014 1 17 . 1 1 61 61 SER H H 61 7.560 7.560 7.705 -0.145 19232 4015 1 17 . 1 1 62 62 VAL N N 62 121.900 121.900 124.592 -2.692 19232 4016 1 17 . 1 1 62 62 VAL H H 62 8.310 8.310 8.588 -0.278 19232 4017 1 17 . 1 1 63 63 ILE N N 63 127.700 127.700 129.019 -1.319 19232 4018 1 17 . 1 1 63 63 ILE H H 63 8.735 8.735 9.187 -0.452 19232 4019 1 17 . 1 1 64 64 LEU N N 64 130.400 130.400 129.637 0.763 19232 4020 1 17 . 1 1 64 64 LEU H H 64 9.160 9.160 8.584 0.576 19232 4021 1 17 . 1 1 69 69 LYS N N 69 116.400 116.400 116.683 -0.283 19232 4022 1 17 . 1 1 69 69 LYS H H 69 7.665 7.665 7.799 -0.134 19232 4023 1 17 . 1 1 70 70 HIS N N 70 113.800 113.800 114.522 -0.722 19232 4024 1 17 . 1 1 70 70 HIS H H 70 7.510 7.510 7.329 0.181 19232 4025 1 17 . 1 1 71 71 ALA N N 71 120.500 120.500 122.516 -2.016 19232 4026 1 17 . 1 1 71 71 ALA H H 71 8.745 8.745 8.816 -0.071 19232 4027 1 17 . 1 1 72 72 PHE N N 72 118.100 118.100 122.266 -4.166 19232 4028 1 17 . 1 1 72 72 PHE H H 72 8.685 8.685 8.954 -0.269 19232 4029 1 17 . 1 1 73 73 VAL N N 73 125.900 125.900 121.488 4.412 19232 4030 1 17 . 1 1 73 73 VAL H H 73 9.425 9.425 8.489 0.936 19232 4031 1 17 . 1 1 74 74 LYS N N 74 129.700 129.700 122.686 7.014 19232 4032 1 17 . 1 1 74 74 LYS H H 74 8.725 8.725 8.248 0.477 19232 4033 1 17 . 1 1 75 75 VAL N N 75 118.800 118.800 122.277 -3.477 19232 4034 1 17 . 1 1 75 75 VAL H H 75 8.385 8.385 8.457 -0.072 19232 4035 1 17 . 1 1 76 76 TYR N N 76 114.800 114.800 126.081 -11.281 19232 4036 1 17 . 1 1 76 76 TYR H H 76 6.995 6.995 8.133 -1.138 19232 4037 1 17 . 1 1 77 77 SER N N 77 107.200 107.200 114.690 -7.490 19232 4038 1 17 . 1 1 77 77 SER H H 77 7.150 7.150 7.675 -0.525 19232 4039 1 17 . 1 1 78 78 ARG N N 78 124.900 124.900 124.249 0.651 19232 4040 1 17 . 1 1 78 78 ARG H H 78 9.225 9.225 8.979 0.246 19232 4041 1 17 . 1 1 79 79 HIS N N 79 119.900 119.900 115.749 4.151 19232 4042 1 17 . 1 1 79 79 HIS H H 79 9.105 9.105 8.486 0.619 19232 4043 1 17 . 1 1 80 80 GLU N N 80 118.200 118.200 117.930 0.270 19232 4044 1 17 . 1 1 80 80 GLU H H 80 7.690 7.690 7.828 -0.138 19232 4045 1 17 . 1 1 81 81 ALA N N 81 123.500 123.500 122.867 0.633 19232 4046 1 17 . 1 1 81 81 ALA H H 81 7.695 7.695 7.326 0.369 19232 4047 1 17 . 1 1 82 82 GLU N N 82 116.400 116.400 116.756 -0.356 19232 4048 1 17 . 1 1 82 82 GLU H H 82 8.450 8.450 7.496 0.954 19232 4049 1 17 . 1 1 83 83 ASN N N 83 118.500 118.500 116.963 1.537 19232 4050 1 17 . 1 1 83 83 ASN H H 83 7.835 7.835 7.580 0.255 19232 4051 1 17 . 1 1 84 84 VAL N N 84 118.300 118.300 119.714 -1.414 19232 4052 1 17 . 1 1 84 84 VAL H H 84 7.785 7.785 7.194 0.591 19232 4053 1 17 . 1 1 85 85 LEU N N 85 119.400 119.400 119.316 0.084 19232 4054 1 17 . 1 1 85 85 LEU H H 85 7.590 7.590 7.366 0.224 19232 4055 1 17 . 1 1 86 86 GLN N N 86 113.600 113.600 116.646 -3.046 19232 4056 1 17 . 1 1 86 86 GLN H H 86 7.985 7.985 7.505 0.480 19232 4057 1 17 . 1 1 87 87 ASN N N 87 112.000 112.000 118.943 -6.943 19232 4058 1 17 . 1 1 87 87 ASN H H 87 7.545 7.545 7.427 0.118 19232 4059 1 17 . 1 1 88 88 PHE N N 88 121.900 121.900 118.220 3.680 19232 4060 1 17 . 1 1 88 88 PHE H H 88 8.265 8.265 7.851 0.414 19232 4061 1 17 . 1 1 89 89 ASN N N 89 126.900 126.900 116.052 10.848 19232 4062 1 17 . 1 1 89 89 ASN H H 89 8.515 8.515 7.766 0.749 19232 4063 1 17 . 1 1 90 90 LYS N N 90 119.900 119.900 118.424 1.476 19232 4064 1 17 . 1 1 90 90 LYS H H 90 7.655 7.655 7.500 0.155 19232 4065 1 17 . 1 1 91 91 ASP N N 91 115.600 115.600 120.914 -5.314 19232 4066 1 17 . 1 1 91 91 ASP H H 91 8.050 8.050 7.738 0.312 19232 4067 1 17 . 1 1 92 92 GLY N N 92 108.400 108.400 108.379 0.021 19232 4068 1 17 . 1 1 92 92 GLY H H 92 7.425 7.425 8.439 -1.014 19232 4069 1 17 . 1 1 93 93 ALA N N 93 122.000 122.000 120.136 1.864 19232 4070 1 17 . 1 1 93 93 ALA H H 93 7.545 7.545 8.256 -0.711 19232 4071 1 17 . 1 1 94 94 LEU N N 94 115.600 115.600 120.678 -5.078 19232 4072 1 17 . 1 1 94 94 LEU H H 94 8.455 8.455 8.226 0.229 19232 4073 1 17 . 1 1 96 96 LEU N N 96 115.700 115.700 119.572 -3.872 19232 4074 1 17 . 1 1 96 96 LEU H H 96 5.775 5.775 7.322 -1.547 19232 4075 1 17 . 1 1 97 97 ARG N N 97 123.300 123.300 124.450 -1.150 19232 4076 1 17 . 1 1 97 97 ARG H H 97 8.290 8.290 8.260 0.030 19232 4077 1 17 . 1 1 98 98 THR N N 98 120.000 120.000 115.943 4.057 19232 4078 1 17 . 1 1 98 98 THR H H 98 8.280 8.280 8.267 0.013 19232 4079 1 17 . 1 1 99 99 ARG N N 99 122.300 122.300 121.654 0.646 19232 4080 1 17 . 1 1 99 99 ARG H H 99 9.005 9.005 8.767 0.238 19232 4081 1 17 . 1 1 100 100 TRP N N 100 120.100 120.100 121.878 -1.778 19232 4082 1 17 . 1 1 100 100 TRP H H 100 8.325 8.325 8.362 -0.037 19232 4083 1 17 . 1 1 101 101 GLY N N 101 107.300 107.300 107.392 -0.092 19232 4084 1 17 . 1 1 101 101 GLY H H 101 8.940 8.940 8.714 0.226 19232 4085 1 17 . 1 1 102 102 VAL N N 102 119.800 119.800 118.338 1.462 19232 4086 1 17 . 1 1 102 102 VAL H H 102 8.130 8.130 8.314 -0.184 19232 4087 1 17 . 1 1 103 103 GLY N N 103 117.200 117.200 113.876 3.324 19232 4088 1 17 . 1 1 103 103 GLY H H 103 9.440 9.440 8.520 0.920 19232 4089 1 17 . 1 1 104 104 PHE N N 104 120.600 120.600 120.944 -0.344 19232 4090 1 17 . 1 1 104 104 PHE H H 104 7.280 7.280 7.628 -0.348 19232 4091 1 17 . 1 1 105 105 GLY N N 105 117.100 117.100 114.730 2.370 19232 4092 1 17 . 1 1 105 105 GLY H H 105 8.565 8.565 7.876 0.689 19232 4093 1 17 . 1 1 109 109 CYS N N 109 115.300 115.300 123.048 -7.748 19232 4094 1 17 . 1 1 109 109 CYS H H 109 6.915 6.915 8.646 -1.731 19232 4095 1 17 . 1 1 110 110 CYS N N 110 119.000 119.000 118.545 0.455 19232 4096 1 17 . 1 1 110 110 CYS H H 110 7.130 7.130 7.762 -0.632 19232 4097 1 17 . 1 1 111 111 ASP N N 111 128.800 128.800 119.817 8.983 19232 4098 1 17 . 1 1 111 111 ASP H H 111 8.245 8.245 8.674 -0.429 19232 4099 1 17 . 1 1 112 112 TYR N N 112 124.400 124.400 119.913 4.487 19232 4100 1 17 . 1 1 112 112 TYR H H 112 8.425 8.425 8.768 -0.343 19232 4101 1 17 . 1 1 113 113 GLN N N 113 117.900 117.900 117.125 0.775 19232 4102 1 17 . 1 1 113 113 GLN H H 113 8.065 8.065 8.289 -0.224 19232 4103 1 17 . 1 1 114 114 HIS N N 114 114.200 114.200 116.667 -2.467 19232 4104 1 17 . 1 1 114 114 HIS H H 114 6.925 6.925 8.229 -1.304 19232 4105 1 17 . 1 1 115 115 GLY N N 115 109.200 109.200 107.116 2.084 19232 4106 1 17 . 1 1 115 115 GLY H H 115 8.430 8.430 7.961 0.469 19232 4107 1 17 . 1 1 116 116 TYR N N 116 115.800 115.800 124.528 -8.728 19232 4108 1 17 . 1 1 116 116 TYR H H 116 6.695 6.695 7.986 -1.291 19232 4109 1 17 . 1 1 117 117 SER N N 117 116.200 116.200 116.199 0.001 19232 4110 1 17 . 1 1 117 117 SER H H 117 8.745 8.745 7.758 0.987 19232 4111 1 17 . 1 1 118 118 ILE N N 118 126.500 126.500 119.120 7.380 19232 4112 1 17 . 1 1 118 118 ILE H H 118 7.560 7.560 8.220 -0.660 19232 4113 1 17 . 1 1 121 121 MET N N 121 124.000 124.000 112.195 11.805 19232 4114 1 17 . 1 1 121 121 MET H H 121 8.885 8.885 7.824 1.061 19232 4115 1 17 . 1 1 122 122 HIS N N 122 113.700 113.700 117.571 -3.871 19232 4116 1 17 . 1 1 122 122 HIS H H 122 7.855 7.855 7.549 0.306 19232 4117 1 17 . 1 1 123 123 ARG N N 123 117.500 117.500 120.751 -3.251 19232 4118 1 17 . 1 1 123 123 ARG H H 123 7.320 7.320 7.658 -0.338 19232 4119 1 17 . 1 1 124 124 LEU N N 124 119.300 119.300 115.077 4.223 19232 4120 1 17 . 1 1 124 124 LEU H H 124 7.120 7.120 7.665 -0.545 19232 4121 1 17 . 1 1 125 125 THR N N 125 116.000 116.000 109.714 6.286 19232 4122 1 17 . 1 1 125 125 THR H H 125 9.485 9.485 7.543 1.942 19232 4123 1 17 . 1 1 126 126 ASP N N 126 121.700 121.700 121.780 -0.080 19232 4124 1 17 . 1 1 126 126 ASP H H 126 8.750 8.750 7.580 1.170 19232 4125 1 17 . 1 1 127 127 ALA N N 127 123.300 123.300 119.040 4.260 19232 4126 1 17 . 1 1 127 127 ALA H H 127 8.105 8.105 7.445 0.660 19232 4127 1 17 . 1 1 128 128 ASP N N 128 118.700 118.700 116.077 2.623 19232 4128 1 17 . 1 1 128 128 ASP H H 128 7.675 7.675 7.780 -0.105 19232 4129 1 17 . 1 1 129 129 LYS N N 129 120.100 120.100 120.297 -0.197 19232 4130 1 17 . 1 1 129 129 LYS H H 129 7.985 7.985 7.573 0.412 19232 4131 1 17 . 1 1 130 130 LYS N N 130 121.500 121.500 119.279 2.221 19232 4132 1 17 . 1 1 130 130 LYS H H 130 7.705 7.705 7.348 0.357 19232 4133 1 17 . 1 1 131 131 TRP N N 131 122.200 122.200 117.645 4.555 19232 4134 1 17 . 1 1 131 131 TRP H H 131 8.905 8.905 7.474 1.431 19232 4135 1 17 . 1 1 132 132 SER N N 132 111.800 111.800 111.464 0.336 19232 4136 1 17 . 1 1 132 132 SER H H 132 7.880 7.880 7.756 0.124 19232 4137 1 17 . 1 1 133 133 VAL N N 133 110.900 110.900 119.466 -8.566 19232 4138 1 17 . 1 1 133 133 VAL H H 133 6.685 6.685 7.267 -0.582 19232 4139 1 17 . 1 1 134 134 SER N N 134 112.900 112.900 116.685 -3.785 19232 4140 1 17 . 1 1 134 134 SER H H 134 7.495 7.495 7.641 -0.146 19232 4141 1 17 . 1 1 135 135 ALA N N 135 125.800 125.800 124.248 1.552 19232 4142 1 17 . 1 1 135 135 ALA H H 135 7.735 7.735 7.697 0.038 19232 4143 1 17 . 1 1 136 136 GLN N N 136 118.500 118.500 118.853 -0.353 19232 4144 1 17 . 1 1 136 136 GLN H H 136 8.825 8.825 8.233 0.592 19232 4145 1 17 . 1 1 137 137 TRP N N 137 120.200 120.200 121.054 -0.854 19232 4146 1 17 . 1 1 137 137 TRP H H 137 8.385 8.385 8.181 0.204 19232 4147 1 17 . 1 1 138 138 GLY N N 138 107.300 107.300 109.042 -1.742 19232 4148 1 17 . 1 1 138 138 GLY H H 138 8.400 8.400 8.805 -0.405 19232 4149 1 17 . 1 1 139 139 GLY N N 139 101.600 101.600 109.317 -7.717 19232 4150 1 17 . 1 1 139 139 GLY H H 139 8.400 8.400 7.740 0.660 19232 4151 1 17 . 1 1 140 140 THR N N 140 107.900 107.900 112.910 -5.010 19232 4152 1 17 . 1 1 140 140 THR H H 140 8.495 8.495 8.327 0.168 19232 4153 1 17 . 1 1 141 141 SER N N 141 120.200 120.200 117.510 2.690 19232 4154 1 17 . 1 1 141 141 SER H H 141 9.350 9.350 8.933 0.417 19232 4155 1 17 . 1 1 142 142 GLY N N 142 105.800 105.800 105.265 0.535 19232 4156 1 17 . 1 1 142 142 GLY H H 142 7.880 7.880 8.448 -0.568 19232 4157 1 17 . 1 1 143 143 GLN N N 143 123.100 123.100 119.036 4.064 19232 4158 1 17 . 1 1 143 143 GLN H H 143 7.350 7.350 8.264 -0.914 19232 4159 1 17 . 1 1 145 145 LEU N N 145 118.500 118.500 117.324 1.176 19232 4160 1 17 . 1 1 145 145 LEU H H 145 8.130 8.130 7.906 0.224 19232 4161 1 17 . 1 1 146 146 VAL N N 146 116.600 116.600 114.856 1.744 19232 4162 1 17 . 1 1 146 146 VAL H H 146 6.550 6.550 7.543 -0.993 19232 4163 1 17 . 1 1 147 147 THR N N 147 117.400 117.400 113.725 3.675 19232 4164 1 17 . 1 1 147 147 THR H H 147 8.355 8.355 7.622 0.733 19232 4165 1 17 . 1 1 148 148 GLY N N 148 113.700 113.700 109.540 4.160 19232 4166 1 17 . 1 1 148 148 GLY H H 148 8.970 8.970 7.771 1.199 19232 4167 1 17 . 1 1 149 149 ILE N N 149 121.700 121.700 121.837 -0.137 19232 4168 1 17 . 1 1 149 149 ILE H H 149 7.865 7.865 8.094 -0.229 19232 4169 1 17 . 1 1 150 150 VAL N N 150 125.800 125.800 111.787 14.013 19232 4170 1 17 . 1 1 150 150 VAL H H 150 8.120 8.120 7.903 0.217 19232 4171 1 17 . 1 1 151 151 PHE N N 151 118.300 118.300 120.131 -1.831 19232 4172 1 17 . 1 1 151 151 PHE H H 151 7.965 7.965 7.619 0.346 19232 4173 1 17 . 1 1 152 152 GLU N N 152 118.100 118.100 121.217 -3.117 19232 4174 1 17 . 1 1 152 152 GLU H H 152 9.530 9.530 7.954 1.576 19232 4175 1 17 . 1 1 158 158 VAL N N 158 126.000 126.000 118.985 7.015 19232 4176 1 17 . 1 1 158 158 VAL H H 158 8.200 8.200 7.350 0.850 19232 4177 1 17 . 1 1 159 159 GLY N N 159 113.000 113.000 112.107 0.893 19232 4178 1 17 . 1 1 159 159 GLY H H 159 8.440 8.440 8.138 0.302 19232 4179 1 17 . 1 1 160 160 GLU N N 160 120.700 120.700 119.347 1.353 19232 4180 1 17 . 1 1 160 160 GLU H H 160 8.270 8.270 8.600 -0.330 19232 4181 1 17 . 1 1 162 162 VAL N N 162 120.000 120.000 116.853 3.147 19232 4182 1 17 . 1 1 162 162 VAL H H 162 7.960 7.960 8.174 -0.213 19232 4183 1 18 . 1 1 18 18 SER N N 18 122.200 122.200 114.188 8.012 19232 4184 1 18 . 1 1 18 18 SER H H 18 8.786 8.786 8.771 0.015 19232 4185 1 18 . 1 1 19 19 TYR N N 19 115.700 115.700 120.589 -4.889 19232 4186 1 18 . 1 1 19 19 TYR H H 19 8.135 8.135 7.786 0.349 19232 4187 1 18 . 1 1 20 20 ASP N N 20 126.400 126.400 123.534 2.866 19232 4188 1 18 . 1 1 20 20 ASP H H 20 9.595 9.595 8.275 1.320 19232 4189 1 18 . 1 1 22 22 THR N N 22 113.200 113.200 111.642 1.558 19232 4190 1 18 . 1 1 22 22 THR H H 22 8.875 8.875 8.445 0.430 19232 4191 1 18 . 1 1 23 23 LEU N N 23 122.800 122.800 118.009 4.791 19232 4192 1 18 . 1 1 23 23 LEU H H 23 6.765 6.765 7.590 -0.825 19232 4193 1 18 . 1 1 26 26 ASP N N 26 123.500 123.500 118.710 4.790 19232 4194 1 18 . 1 1 26 26 ASP H H 26 9.395 9.395 7.740 1.655 19232 4195 1 18 . 1 1 27 27 HIS N N 27 116.900 116.900 120.106 -3.206 19232 4196 1 18 . 1 1 27 27 HIS H H 27 7.965 7.965 8.634 -0.669 19232 4197 1 18 . 1 1 28 28 ILE N N 28 113.200 113.200 116.800 -3.600 19232 4198 1 18 . 1 1 28 28 ILE H H 28 8.115 8.115 7.955 0.160 19232 4199 1 18 . 1 1 29 29 LYS N N 29 123.200 123.200 121.820 1.380 19232 4200 1 18 . 1 1 29 29 LYS H H 29 8.610 8.610 8.578 0.032 19232 4201 1 18 . 1 1 30 30 VAL N N 30 122.300 122.300 115.232 7.068 19232 4202 1 18 . 1 1 30 30 VAL H H 30 8.130 8.130 7.744 0.386 19232 4203 1 18 . 1 1 31 31 TYR N N 31 124.000 124.000 124.077 -0.077 19232 4204 1 18 . 1 1 31 31 TYR H H 31 8.520 8.520 7.649 0.871 19232 4205 1 18 . 1 1 32 32 SER N N 32 117.600 117.600 117.052 0.548 19232 4206 1 18 . 1 1 32 32 SER H H 32 7.295 7.295 8.905 -1.610 19232 4207 1 18 . 1 1 33 33 ARG N N 33 125.000 125.000 124.990 0.010 19232 4208 1 18 . 1 1 33 33 ARG H H 33 9.485 9.485 8.365 1.120 19232 4209 1 18 . 1 1 34 34 THR N N 34 119.400 119.400 114.659 4.741 19232 4210 1 18 . 1 1 34 34 THR H H 34 9.235 9.235 8.483 0.752 19232 4211 1 18 . 1 1 35 35 LEU N N 35 126.200 126.200 130.060 -3.860 19232 4212 1 18 . 1 1 35 35 LEU H H 35 9.510 9.510 8.474 1.036 19232 4213 1 18 . 1 1 36 36 PHE N N 36 124.000 124.000 129.390 -5.390 19232 4214 1 18 . 1 1 36 36 PHE H H 36 8.820 8.820 9.402 -0.582 19232 4215 1 18 . 1 1 37 37 ILE N N 37 127.200 127.200 125.416 1.784 19232 4216 1 18 . 1 1 37 37 ILE H H 37 8.260 8.260 7.853 0.407 19232 4217 1 18 . 1 1 38 38 GLY N N 38 112.400 112.400 110.171 2.229 19232 4218 1 18 . 1 1 38 38 GLY H H 38 8.670 8.670 8.101 0.569 19232 4219 1 18 . 1 1 39 39 GLY N N 39 108.300 108.300 107.578 0.722 19232 4220 1 18 . 1 1 39 39 GLY H H 39 8.360 8.360 8.551 -0.191 19232 4221 1 18 . 1 1 40 40 VAL N N 40 121.200 121.200 115.864 5.336 19232 4222 1 18 . 1 1 40 40 VAL H H 40 7.380 7.380 7.847 -0.467 19232 4223 1 18 . 1 1 42 42 LEU N N 42 120.800 120.800 120.046 0.754 19232 4224 1 18 . 1 1 42 42 LEU H H 42 8.225 8.225 7.671 0.554 19232 4225 1 18 . 1 1 43 43 ASN N N 43 112.300 112.300 122.342 -10.042 19232 4226 1 18 . 1 1 43 43 ASN H H 43 7.980 7.980 8.939 -0.959 19232 4227 1 18 . 1 1 44 44 MET N N 44 122.000 122.000 117.143 4.857 19232 4228 1 18 . 1 1 44 44 MET H H 44 7.470 7.470 7.788 -0.318 19232 4229 1 18 . 1 1 45 45 LYS N N 45 124.100 124.100 120.675 3.425 19232 4230 1 18 . 1 1 45 45 LYS H H 45 8.945 8.945 8.049 0.896 19232 4231 1 18 . 1 1 46 46 GLU N N 46 122.400 122.400 125.835 -3.435 19232 4232 1 18 . 1 1 46 46 GLU H H 46 9.985 9.985 8.802 1.183 19232 4233 1 18 . 1 1 47 47 TRP N N 47 115.200 115.200 118.062 -2.862 19232 4234 1 18 . 1 1 47 47 TRP H H 47 7.840 7.840 7.967 -0.127 19232 4235 1 18 . 1 1 48 48 ASP N N 48 118.900 118.900 119.955 -1.055 19232 4236 1 18 . 1 1 48 48 ASP H H 48 6.700 6.700 7.859 -1.159 19232 4237 1 18 . 1 1 49 49 LEU N N 49 120.300 120.300 119.622 0.678 19232 4238 1 18 . 1 1 49 49 LEU H H 49 7.555 7.555 7.567 -0.012 19232 4239 1 18 . 1 1 50 50 ALA N N 50 118.800 118.800 120.984 -2.184 19232 4240 1 18 . 1 1 50 50 ALA H H 50 7.705 7.705 7.463 0.242 19232 4241 1 18 . 1 1 51 51 ASN N N 51 115.900 115.900 116.076 -0.176 19232 4242 1 18 . 1 1 51 51 ASN H H 51 7.805 7.805 7.803 0.002 19232 4243 1 18 . 1 1 52 52 VAL N N 52 116.000 116.000 113.870 2.130 19232 4244 1 18 . 1 1 52 52 VAL H H 52 7.855 7.855 7.296 0.559 19232 4245 1 18 . 1 1 53 53 LEU N N 53 116.700 116.700 119.880 -3.180 19232 4246 1 18 . 1 1 53 53 LEU H H 53 6.925 6.925 7.366 -0.441 19232 4247 1 18 . 1 1 54 54 LYS N N 54 122.400 122.400 121.610 0.790 19232 4248 1 18 . 1 1 54 54 LYS H H 54 7.120 7.120 8.391 -1.271 19232 4249 1 18 . 1 1 56 56 PHE N N 56 113.000 113.000 117.437 -4.437 19232 4250 1 18 . 1 1 56 56 PHE H H 56 8.285 8.285 8.139 0.146 19232 4251 1 18 . 1 1 57 57 ALA N N 57 119.300 119.300 117.246 2.054 19232 4252 1 18 . 1 1 57 57 ALA H H 57 8.155 8.155 7.258 0.897 19232 4253 1 18 . 1 1 58 58 GLU N N 58 119.300 119.300 121.588 -2.288 19232 4254 1 18 . 1 1 58 58 GLU H H 58 8.130 8.130 9.105 -0.975 19232 4255 1 18 . 1 1 59 59 VAL N N 59 124.200 124.200 123.221 0.979 19232 4256 1 18 . 1 1 59 59 VAL H H 59 7.800 7.800 8.110 -0.310 19232 4257 1 18 . 1 1 60 60 GLN N N 60 130.300 130.300 127.530 2.770 19232 4258 1 18 . 1 1 60 60 GLN H H 60 8.720 8.720 8.546 0.174 19232 4259 1 18 . 1 1 61 61 SER N N 61 111.000 111.000 114.653 -3.653 19232 4260 1 18 . 1 1 61 61 SER H H 61 7.560 7.560 7.664 -0.104 19232 4261 1 18 . 1 1 62 62 VAL N N 62 121.900 121.900 124.624 -2.724 19232 4262 1 18 . 1 1 62 62 VAL H H 62 8.310 8.310 8.435 -0.125 19232 4263 1 18 . 1 1 63 63 ILE N N 63 127.700 127.700 122.603 5.097 19232 4264 1 18 . 1 1 63 63 ILE H H 63 8.735 8.735 9.009 -0.274 19232 4265 1 18 . 1 1 64 64 LEU N N 64 130.400 130.400 127.162 3.238 19232 4266 1 18 . 1 1 64 64 LEU H H 64 9.160 9.160 8.411 0.749 19232 4267 1 18 . 1 1 69 69 LYS N N 69 116.400 116.400 116.210 0.190 19232 4268 1 18 . 1 1 69 69 LYS H H 69 7.665 7.665 7.738 -0.073 19232 4269 1 18 . 1 1 70 70 HIS N N 70 113.800 113.800 116.996 -3.196 19232 4270 1 18 . 1 1 70 70 HIS H H 70 7.510 7.510 7.487 0.023 19232 4271 1 18 . 1 1 71 71 ALA N N 71 120.500 120.500 126.645 -6.145 19232 4272 1 18 . 1 1 71 71 ALA H H 71 8.745 8.745 7.865 0.880 19232 4273 1 18 . 1 1 72 72 PHE N N 72 118.100 118.100 118.867 -0.767 19232 4274 1 18 . 1 1 72 72 PHE H H 72 8.685 8.685 8.736 -0.051 19232 4275 1 18 . 1 1 73 73 VAL N N 73 125.900 125.900 115.375 10.525 19232 4276 1 18 . 1 1 73 73 VAL H H 73 9.425 9.425 9.212 0.213 19232 4277 1 18 . 1 1 74 74 LYS N N 74 129.700 129.700 122.347 7.353 19232 4278 1 18 . 1 1 74 74 LYS H H 74 8.725 8.725 8.312 0.413 19232 4279 1 18 . 1 1 75 75 VAL N N 75 118.800 118.800 119.904 -1.104 19232 4280 1 18 . 1 1 75 75 VAL H H 75 8.385 8.385 8.489 -0.104 19232 4281 1 18 . 1 1 76 76 TYR N N 76 114.800 114.800 126.625 -11.825 19232 4282 1 18 . 1 1 76 76 TYR H H 76 6.995 6.995 8.791 -1.796 19232 4283 1 18 . 1 1 77 77 SER N N 77 107.200 107.200 113.822 -6.622 19232 4284 1 18 . 1 1 77 77 SER H H 77 7.150 7.150 7.445 -0.295 19232 4285 1 18 . 1 1 78 78 ARG N N 78 124.900 124.900 125.469 -0.569 19232 4286 1 18 . 1 1 78 78 ARG H H 78 9.225 9.225 8.954 0.271 19232 4287 1 18 . 1 1 79 79 HIS N N 79 119.900 119.900 118.099 1.801 19232 4288 1 18 . 1 1 79 79 HIS H H 79 9.105 9.105 7.843 1.262 19232 4289 1 18 . 1 1 80 80 GLU N N 80 118.200 118.200 119.271 -1.071 19232 4290 1 18 . 1 1 80 80 GLU H H 80 7.690 7.690 7.589 0.101 19232 4291 1 18 . 1 1 81 81 ALA N N 81 123.500 123.500 122.168 1.332 19232 4292 1 18 . 1 1 81 81 ALA H H 81 7.695 7.695 7.477 0.218 19232 4293 1 18 . 1 1 82 82 GLU N N 82 116.400 116.400 116.834 -0.434 19232 4294 1 18 . 1 1 82 82 GLU H H 82 8.450 8.450 7.731 0.719 19232 4295 1 18 . 1 1 83 83 ASN N N 83 118.500 118.500 118.208 0.292 19232 4296 1 18 . 1 1 83 83 ASN H H 83 7.835 7.835 7.444 0.391 19232 4297 1 18 . 1 1 84 84 VAL N N 84 118.300 118.300 120.993 -2.693 19232 4298 1 18 . 1 1 84 84 VAL H H 84 7.785 7.785 7.426 0.359 19232 4299 1 18 . 1 1 85 85 LEU N N 85 119.400 119.400 117.653 1.747 19232 4300 1 18 . 1 1 85 85 LEU H H 85 7.590 7.590 7.402 0.188 19232 4301 1 18 . 1 1 86 86 GLN N N 86 113.600 113.600 117.415 -3.815 19232 4302 1 18 . 1 1 86 86 GLN H H 86 7.985 7.985 7.675 0.310 19232 4303 1 18 . 1 1 87 87 ASN N N 87 112.000 112.000 117.618 -5.618 19232 4304 1 18 . 1 1 87 87 ASN H H 87 7.545 7.545 7.770 -0.225 19232 4305 1 18 . 1 1 88 88 PHE N N 88 121.900 121.900 115.794 6.106 19232 4306 1 18 . 1 1 88 88 PHE H H 88 8.265 8.265 7.943 0.322 19232 4307 1 18 . 1 1 89 89 ASN N N 89 126.900 126.900 117.494 9.406 19232 4308 1 18 . 1 1 89 89 ASN H H 89 8.515 8.515 7.702 0.813 19232 4309 1 18 . 1 1 90 90 LYS N N 90 119.900 119.900 117.926 1.974 19232 4310 1 18 . 1 1 90 90 LYS H H 90 7.655 7.655 7.757 -0.102 19232 4311 1 18 . 1 1 91 91 ASP N N 91 115.600 115.600 118.670 -3.070 19232 4312 1 18 . 1 1 91 91 ASP H H 91 8.050 8.050 7.581 0.469 19232 4313 1 18 . 1 1 92 92 GLY N N 92 108.400 108.400 105.187 3.213 19232 4314 1 18 . 1 1 92 92 GLY H H 92 7.425 7.425 8.061 -0.636 19232 4315 1 18 . 1 1 93 93 ALA N N 93 122.000 122.000 122.858 -0.858 19232 4316 1 18 . 1 1 93 93 ALA H H 93 7.545 7.545 8.176 -0.631 19232 4317 1 18 . 1 1 94 94 LEU N N 94 115.600 115.600 119.033 -3.433 19232 4318 1 18 . 1 1 94 94 LEU H H 94 8.455 8.455 8.071 0.384 19232 4319 1 18 . 1 1 96 96 LEU N N 96 115.700 115.700 118.163 -2.463 19232 4320 1 18 . 1 1 96 96 LEU H H 96 5.775 5.775 7.355 -1.580 19232 4321 1 18 . 1 1 97 97 ARG N N 97 123.300 123.300 121.258 2.042 19232 4322 1 18 . 1 1 97 97 ARG H H 97 8.290 8.290 8.398 -0.108 19232 4323 1 18 . 1 1 98 98 THR N N 98 120.000 120.000 116.026 3.974 19232 4324 1 18 . 1 1 98 98 THR H H 98 8.280 8.280 8.388 -0.108 19232 4325 1 18 . 1 1 99 99 ARG N N 99 122.300 122.300 126.724 -4.424 19232 4326 1 18 . 1 1 99 99 ARG H H 99 9.005 9.005 8.904 0.101 19232 4327 1 18 . 1 1 100 100 TRP N N 100 120.100 120.100 124.962 -4.862 19232 4328 1 18 . 1 1 100 100 TRP H H 100 8.325 8.325 8.447 -0.122 19232 4329 1 18 . 1 1 101 101 GLY N N 101 107.300 107.300 111.100 -3.800 19232 4330 1 18 . 1 1 101 101 GLY H H 101 8.940 8.940 9.069 -0.129 19232 4331 1 18 . 1 1 102 102 VAL N N 102 119.800 119.800 121.584 -1.784 19232 4332 1 18 . 1 1 102 102 VAL H H 102 8.130 8.130 8.164 -0.034 19232 4333 1 18 . 1 1 103 103 GLY N N 103 117.200 117.200 111.991 5.209 19232 4334 1 18 . 1 1 103 103 GLY H H 103 9.440 9.440 8.752 0.688 19232 4335 1 18 . 1 1 104 104 PHE N N 104 120.600 120.600 120.277 0.323 19232 4336 1 18 . 1 1 104 104 PHE H H 104 7.280 7.280 7.820 -0.540 19232 4337 1 18 . 1 1 105 105 GLY N N 105 117.100 117.100 109.859 7.241 19232 4338 1 18 . 1 1 105 105 GLY H H 105 8.565 8.565 7.511 1.054 19232 4339 1 18 . 1 1 109 109 CYS N N 109 115.300 115.300 122.203 -6.903 19232 4340 1 18 . 1 1 109 109 CYS H H 109 6.915 6.915 8.771 -1.856 19232 4341 1 18 . 1 1 110 110 CYS N N 110 119.000 119.000 121.361 -2.361 19232 4342 1 18 . 1 1 110 110 CYS H H 110 7.130 7.130 8.169 -1.039 19232 4343 1 18 . 1 1 111 111 ASP N N 111 128.800 128.800 127.539 1.261 19232 4344 1 18 . 1 1 111 111 ASP H H 111 8.245 8.245 8.306 -0.061 19232 4345 1 18 . 1 1 112 112 TYR N N 112 124.400 124.400 121.890 2.510 19232 4346 1 18 . 1 1 112 112 TYR H H 112 8.425 8.425 8.592 -0.167 19232 4347 1 18 . 1 1 113 113 GLN N N 113 117.900 117.900 118.663 -0.763 19232 4348 1 18 . 1 1 113 113 GLN H H 113 8.065 8.065 7.802 0.263 19232 4349 1 18 . 1 1 114 114 HIS N N 114 114.200 114.200 114.968 -0.768 19232 4350 1 18 . 1 1 114 114 HIS H H 114 6.925 6.925 7.629 -0.704 19232 4351 1 18 . 1 1 115 115 GLY N N 115 109.200 109.200 107.043 2.157 19232 4352 1 18 . 1 1 115 115 GLY H H 115 8.430 8.430 7.542 0.888 19232 4353 1 18 . 1 1 116 116 TYR N N 116 115.800 115.800 120.438 -4.638 19232 4354 1 18 . 1 1 116 116 TYR H H 116 6.695 6.695 7.650 -0.955 19232 4355 1 18 . 1 1 117 117 SER N N 117 116.200 116.200 116.284 -0.084 19232 4356 1 18 . 1 1 117 117 SER H H 117 8.745 8.745 7.540 1.205 19232 4357 1 18 . 1 1 118 118 ILE N N 118 126.500 126.500 118.650 7.850 19232 4358 1 18 . 1 1 118 118 ILE H H 118 7.560 7.560 8.356 -0.796 19232 4359 1 18 . 1 1 121 121 MET N N 121 124.000 124.000 112.292 11.708 19232 4360 1 18 . 1 1 121 121 MET H H 121 8.885 8.885 7.866 1.019 19232 4361 1 18 . 1 1 122 122 HIS N N 122 113.700 113.700 120.150 -6.450 19232 4362 1 18 . 1 1 122 122 HIS H H 122 7.855 7.855 7.839 0.016 19232 4363 1 18 . 1 1 123 123 ARG N N 123 117.500 117.500 119.945 -2.445 19232 4364 1 18 . 1 1 123 123 ARG H H 123 7.320 7.320 7.508 -0.188 19232 4365 1 18 . 1 1 124 124 LEU N N 124 119.300 119.300 118.696 0.604 19232 4366 1 18 . 1 1 124 124 LEU H H 124 7.120 7.120 7.902 -0.782 19232 4367 1 18 . 1 1 125 125 THR N N 125 116.000 116.000 113.086 2.914 19232 4368 1 18 . 1 1 125 125 THR H H 125 9.485 9.485 7.759 1.726 19232 4369 1 18 . 1 1 126 126 ASP N N 126 121.700 121.700 121.537 0.163 19232 4370 1 18 . 1 1 126 126 ASP H H 126 8.750 8.750 7.579 1.171 19232 4371 1 18 . 1 1 127 127 ALA N N 127 123.300 123.300 119.410 3.890 19232 4372 1 18 . 1 1 127 127 ALA H H 127 8.105 8.105 7.477 0.628 19232 4373 1 18 . 1 1 128 128 ASP N N 128 118.700 118.700 116.650 2.050 19232 4374 1 18 . 1 1 128 128 ASP H H 128 7.675 7.675 7.809 -0.134 19232 4375 1 18 . 1 1 129 129 LYS N N 129 120.100 120.100 120.750 -0.650 19232 4376 1 18 . 1 1 129 129 LYS H H 129 7.985 7.985 7.573 0.412 19232 4377 1 18 . 1 1 130 130 LYS N N 130 121.500 121.500 119.430 2.070 19232 4378 1 18 . 1 1 130 130 LYS H H 130 7.705 7.705 7.323 0.382 19232 4379 1 18 . 1 1 131 131 TRP N N 131 122.200 122.200 119.169 3.031 19232 4380 1 18 . 1 1 131 131 TRP H H 131 8.905 8.905 7.397 1.508 19232 4381 1 18 . 1 1 132 132 SER N N 132 111.800 111.800 111.743 0.057 19232 4382 1 18 . 1 1 132 132 SER H H 132 7.880 7.880 7.713 0.167 19232 4383 1 18 . 1 1 133 133 VAL N N 133 110.900 110.900 118.554 -7.654 19232 4384 1 18 . 1 1 133 133 VAL H H 133 6.685 6.685 7.211 -0.526 19232 4385 1 18 . 1 1 134 134 SER N N 134 112.900 112.900 117.434 -4.534 19232 4386 1 18 . 1 1 134 134 SER H H 134 7.495 7.495 7.639 -0.144 19232 4387 1 18 . 1 1 135 135 ALA N N 135 125.800 125.800 122.236 3.564 19232 4388 1 18 . 1 1 135 135 ALA H H 135 7.735 7.735 7.888 -0.153 19232 4389 1 18 . 1 1 136 136 GLN N N 136 118.500 118.500 119.411 -0.911 19232 4390 1 18 . 1 1 136 136 GLN H H 136 8.825 8.825 8.041 0.784 19232 4391 1 18 . 1 1 137 137 TRP N N 137 120.200 120.200 124.868 -4.668 19232 4392 1 18 . 1 1 137 137 TRP H H 137 8.385 8.385 8.450 -0.065 19232 4393 1 18 . 1 1 138 138 GLY N N 138 107.300 107.300 107.676 -0.376 19232 4394 1 18 . 1 1 138 138 GLY H H 138 8.400 8.400 7.441 0.959 19232 4395 1 18 . 1 1 139 139 GLY N N 139 101.600 101.600 105.849 -4.249 19232 4396 1 18 . 1 1 139 139 GLY H H 139 8.400 8.400 8.175 0.225 19232 4397 1 18 . 1 1 140 140 THR N N 140 107.900 107.900 109.971 -2.071 19232 4398 1 18 . 1 1 140 140 THR H H 140 8.495 8.495 8.595 -0.100 19232 4399 1 18 . 1 1 141 141 SER N N 141 120.200 120.200 110.332 9.868 19232 4400 1 18 . 1 1 141 141 SER H H 141 9.350 9.350 7.613 1.737 19232 4401 1 18 . 1 1 142 142 GLY N N 142 105.800 105.800 108.926 -3.126 19232 4402 1 18 . 1 1 142 142 GLY H H 142 7.880 7.880 8.102 -0.222 19232 4403 1 18 . 1 1 143 143 GLN N N 143 123.100 123.100 117.967 5.133 19232 4404 1 18 . 1 1 143 143 GLN H H 143 7.350 7.350 7.556 -0.206 19232 4405 1 18 . 1 1 145 145 LEU N N 145 118.500 118.500 113.371 5.129 19232 4406 1 18 . 1 1 145 145 LEU H H 145 8.130 8.130 7.512 0.618 19232 4407 1 18 . 1 1 146 146 VAL N N 146 116.600 116.600 111.226 5.374 19232 4408 1 18 . 1 1 146 146 VAL H H 146 6.550 6.550 7.469 -0.919 19232 4409 1 18 . 1 1 147 147 THR N N 147 117.400 117.400 112.243 5.157 19232 4410 1 18 . 1 1 147 147 THR H H 147 8.355 8.355 7.248 1.107 19232 4411 1 18 . 1 1 148 148 GLY N N 148 113.700 113.700 108.833 4.867 19232 4412 1 18 . 1 1 148 148 GLY H H 148 8.970 8.970 7.656 1.314 19232 4413 1 18 . 1 1 149 149 ILE N N 149 121.700 121.700 124.324 -2.624 19232 4414 1 18 . 1 1 149 149 ILE H H 149 7.865 7.865 7.757 0.108 19232 4415 1 18 . 1 1 150 150 VAL N N 150 125.800 125.800 117.716 8.084 19232 4416 1 18 . 1 1 150 150 VAL H H 150 8.120 8.120 8.170 -0.050 19232 4417 1 18 . 1 1 151 151 PHE N N 151 118.300 118.300 121.476 -3.176 19232 4418 1 18 . 1 1 151 151 PHE H H 151 7.965 7.965 7.540 0.425 19232 4419 1 18 . 1 1 152 152 GLU N N 152 118.100 118.100 123.191 -5.091 19232 4420 1 18 . 1 1 152 152 GLU H H 152 9.530 9.530 7.688 1.842 19232 4421 1 18 . 1 1 158 158 VAL N N 158 126.000 126.000 123.165 2.835 19232 4422 1 18 . 1 1 158 158 VAL H H 158 8.200 8.200 8.188 0.012 19232 4423 1 18 . 1 1 159 159 GLY N N 159 113.000 113.000 111.152 1.848 19232 4424 1 18 . 1 1 159 159 GLY H H 159 8.440 8.440 8.253 0.187 19232 4425 1 18 . 1 1 160 160 GLU N N 160 120.700 120.700 120.752 -0.052 19232 4426 1 18 . 1 1 160 160 GLU H H 160 8.270 8.270 8.389 -0.119 19232 4427 1 18 . 1 1 162 162 VAL N N 162 120.000 120.000 114.985 5.015 19232 4428 1 18 . 1 1 162 162 VAL H H 162 7.960 7.960 8.134 -0.174 19232 4429 1 19 . 1 1 18 18 SER N N 18 122.200 122.200 113.761 8.439 19232 4430 1 19 . 1 1 18 18 SER H H 18 8.786 8.786 8.894 -0.108 19232 4431 1 19 . 1 1 19 19 TYR N N 19 115.700 115.700 119.573 -3.873 19232 4432 1 19 . 1 1 19 19 TYR H H 19 8.135 8.135 8.479 -0.344 19232 4433 1 19 . 1 1 20 20 ASP N N 20 126.400 126.400 119.024 7.376 19232 4434 1 19 . 1 1 20 20 ASP H H 20 9.595 9.595 8.508 1.087 19232 4435 1 19 . 1 1 22 22 THR N N 22 113.200 113.200 114.260 -1.060 19232 4436 1 19 . 1 1 22 22 THR H H 22 8.875 8.875 7.405 1.470 19232 4437 1 19 . 1 1 23 23 LEU N N 23 122.800 122.800 117.803 4.997 19232 4438 1 19 . 1 1 23 23 LEU H H 23 6.765 6.765 7.501 -0.736 19232 4439 1 19 . 1 1 26 26 ASP N N 26 123.500 123.500 121.534 1.966 19232 4440 1 19 . 1 1 26 26 ASP H H 26 9.395 9.395 8.363 1.032 19232 4441 1 19 . 1 1 27 27 HIS N N 27 116.900 116.900 116.058 0.842 19232 4442 1 19 . 1 1 27 27 HIS H H 27 7.965 7.965 8.837 -0.872 19232 4443 1 19 . 1 1 28 28 ILE N N 28 113.200 113.200 118.662 -5.462 19232 4444 1 19 . 1 1 28 28 ILE H H 28 8.115 8.115 7.821 0.294 19232 4445 1 19 . 1 1 29 29 LYS N N 29 123.200 123.200 128.048 -4.848 19232 4446 1 19 . 1 1 29 29 LYS H H 29 8.610 8.610 8.740 -0.130 19232 4447 1 19 . 1 1 30 30 VAL N N 30 122.300 122.300 113.328 8.972 19232 4448 1 19 . 1 1 30 30 VAL H H 30 8.130 8.130 7.529 0.601 19232 4449 1 19 . 1 1 31 31 TYR N N 31 124.000 124.000 120.978 3.022 19232 4450 1 19 . 1 1 31 31 TYR H H 31 8.520 8.520 8.004 0.516 19232 4451 1 19 . 1 1 32 32 SER N N 32 117.600 117.600 120.441 -2.841 19232 4452 1 19 . 1 1 32 32 SER H H 32 7.295 7.295 7.917 -0.622 19232 4453 1 19 . 1 1 33 33 ARG N N 33 125.000 125.000 121.460 3.540 19232 4454 1 19 . 1 1 33 33 ARG H H 33 9.485 9.485 9.028 0.457 19232 4455 1 19 . 1 1 34 34 THR N N 34 119.400 119.400 114.621 4.779 19232 4456 1 19 . 1 1 34 34 THR H H 34 9.235 9.235 7.600 1.635 19232 4457 1 19 . 1 1 35 35 LEU N N 35 126.200 126.200 126.394 -0.194 19232 4458 1 19 . 1 1 35 35 LEU H H 35 9.510 9.510 8.088 1.422 19232 4459 1 19 . 1 1 36 36 PHE N N 36 124.000 124.000 125.415 -1.415 19232 4460 1 19 . 1 1 36 36 PHE H H 36 8.820 8.820 8.995 -0.175 19232 4461 1 19 . 1 1 37 37 ILE N N 37 127.200 127.200 120.593 6.607 19232 4462 1 19 . 1 1 37 37 ILE H H 37 8.260 8.260 8.206 0.054 19232 4463 1 19 . 1 1 38 38 GLY N N 38 112.400 112.400 109.811 2.589 19232 4464 1 19 . 1 1 38 38 GLY H H 38 8.670 8.670 8.575 0.095 19232 4465 1 19 . 1 1 39 39 GLY N N 39 108.300 108.300 107.807 0.493 19232 4466 1 19 . 1 1 39 39 GLY H H 39 8.360 8.360 8.898 -0.538 19232 4467 1 19 . 1 1 40 40 VAL N N 40 121.200 121.200 115.728 5.472 19232 4468 1 19 . 1 1 40 40 VAL H H 40 7.380 7.380 8.134 -0.754 19232 4469 1 19 . 1 1 42 42 LEU N N 42 120.800 120.800 113.691 7.109 19232 4470 1 19 . 1 1 42 42 LEU H H 42 8.225 8.225 7.454 0.771 19232 4471 1 19 . 1 1 43 43 ASN N N 43 112.300 112.300 116.208 -3.908 19232 4472 1 19 . 1 1 43 43 ASN H H 43 7.980 7.980 7.746 0.234 19232 4473 1 19 . 1 1 44 44 MET N N 44 122.000 122.000 114.202 7.798 19232 4474 1 19 . 1 1 44 44 MET H H 44 7.470 7.470 7.975 -0.505 19232 4475 1 19 . 1 1 45 45 LYS N N 45 124.100 124.100 115.583 8.517 19232 4476 1 19 . 1 1 45 45 LYS H H 45 8.945 8.945 7.761 1.184 19232 4477 1 19 . 1 1 46 46 GLU N N 46 122.400 122.400 122.687 -0.287 19232 4478 1 19 . 1 1 46 46 GLU H H 46 9.985 9.985 8.876 1.109 19232 4479 1 19 . 1 1 47 47 TRP N N 47 115.200 115.200 118.351 -3.151 19232 4480 1 19 . 1 1 47 47 TRP H H 47 7.840 7.840 7.721 0.119 19232 4481 1 19 . 1 1 48 48 ASP N N 48 118.900 118.900 119.938 -1.038 19232 4482 1 19 . 1 1 48 48 ASP H H 48 6.700 6.700 7.666 -0.966 19232 4483 1 19 . 1 1 49 49 LEU N N 49 120.300 120.300 119.652 0.648 19232 4484 1 19 . 1 1 49 49 LEU H H 49 7.555 7.555 7.636 -0.081 19232 4485 1 19 . 1 1 50 50 ALA N N 50 118.800 118.800 120.960 -2.160 19232 4486 1 19 . 1 1 50 50 ALA H H 50 7.705 7.705 7.644 0.061 19232 4487 1 19 . 1 1 51 51 ASN N N 51 115.900 115.900 115.429 0.471 19232 4488 1 19 . 1 1 51 51 ASN H H 51 7.805 7.805 7.825 -0.020 19232 4489 1 19 . 1 1 52 52 VAL N N 52 116.000 116.000 113.149 2.851 19232 4490 1 19 . 1 1 52 52 VAL H H 52 7.855 7.855 7.301 0.554 19232 4491 1 19 . 1 1 53 53 LEU N N 53 116.700 116.700 119.166 -2.466 19232 4492 1 19 . 1 1 53 53 LEU H H 53 6.925 6.925 7.427 -0.502 19232 4493 1 19 . 1 1 54 54 LYS N N 54 122.400 122.400 119.582 2.818 19232 4494 1 19 . 1 1 54 54 LYS H H 54 7.120 7.120 7.560 -0.440 19232 4495 1 19 . 1 1 56 56 PHE N N 56 113.000 113.000 117.903 -4.903 19232 4496 1 19 . 1 1 56 56 PHE H H 56 8.285 8.285 8.030 0.255 19232 4497 1 19 . 1 1 57 57 ALA N N 57 119.300 119.300 117.360 1.940 19232 4498 1 19 . 1 1 57 57 ALA H H 57 8.155 8.155 7.229 0.926 19232 4499 1 19 . 1 1 58 58 GLU N N 58 119.300 119.300 120.678 -1.378 19232 4500 1 19 . 1 1 58 58 GLU H H 58 8.130 8.130 8.603 -0.473 19232 4501 1 19 . 1 1 59 59 VAL N N 59 124.200 124.200 120.536 3.664 19232 4502 1 19 . 1 1 59 59 VAL H H 59 7.800 7.800 7.808 -0.008 19232 4503 1 19 . 1 1 60 60 GLN N N 60 130.300 130.300 125.765 4.535 19232 4504 1 19 . 1 1 60 60 GLN H H 60 8.720 8.720 8.737 -0.017 19232 4505 1 19 . 1 1 61 61 SER N N 61 111.000 111.000 116.201 -5.201 19232 4506 1 19 . 1 1 61 61 SER H H 61 7.560 7.560 7.779 -0.219 19232 4507 1 19 . 1 1 62 62 VAL N N 62 121.900 121.900 125.928 -4.028 19232 4508 1 19 . 1 1 62 62 VAL H H 62 8.310 8.310 8.464 -0.154 19232 4509 1 19 . 1 1 63 63 ILE N N 63 127.700 127.700 122.665 5.035 19232 4510 1 19 . 1 1 63 63 ILE H H 63 8.735 8.735 8.860 -0.125 19232 4511 1 19 . 1 1 64 64 LEU N N 64 130.400 130.400 125.714 4.686 19232 4512 1 19 . 1 1 64 64 LEU H H 64 9.160 9.160 8.447 0.713 19232 4513 1 19 . 1 1 69 69 LYS N N 69 116.400 116.400 117.224 -0.824 19232 4514 1 19 . 1 1 69 69 LYS H H 69 7.665 7.665 7.763 -0.098 19232 4515 1 19 . 1 1 70 70 HIS N N 70 113.800 113.800 117.815 -4.015 19232 4516 1 19 . 1 1 70 70 HIS H H 70 7.510 7.510 7.839 -0.329 19232 4517 1 19 . 1 1 71 71 ALA N N 71 120.500 120.500 126.361 -5.861 19232 4518 1 19 . 1 1 71 71 ALA H H 71 8.745 8.745 8.007 0.738 19232 4519 1 19 . 1 1 72 72 PHE N N 72 118.100 118.100 119.301 -1.201 19232 4520 1 19 . 1 1 72 72 PHE H H 72 8.685 8.685 8.635 0.050 19232 4521 1 19 . 1 1 73 73 VAL N N 73 125.900 125.900 116.126 9.774 19232 4522 1 19 . 1 1 73 73 VAL H H 73 9.425 9.425 9.189 0.236 19232 4523 1 19 . 1 1 74 74 LYS N N 74 129.700 129.700 123.119 6.581 19232 4524 1 19 . 1 1 74 74 LYS H H 74 8.725 8.725 8.603 0.122 19232 4525 1 19 . 1 1 75 75 VAL N N 75 118.800 118.800 119.425 -0.625 19232 4526 1 19 . 1 1 75 75 VAL H H 75 8.385 8.385 8.377 0.008 19232 4527 1 19 . 1 1 76 76 TYR N N 76 114.800 114.800 118.924 -4.124 19232 4528 1 19 . 1 1 76 76 TYR H H 76 6.995 6.995 8.660 -1.665 19232 4529 1 19 . 1 1 77 77 SER N N 77 107.200 107.200 115.265 -8.065 19232 4530 1 19 . 1 1 77 77 SER H H 77 7.150 7.150 7.233 -0.083 19232 4531 1 19 . 1 1 78 78 ARG N N 78 124.900 124.900 127.094 -2.194 19232 4532 1 19 . 1 1 78 78 ARG H H 78 9.225 9.225 8.797 0.428 19232 4533 1 19 . 1 1 79 79 HIS N N 79 119.900 119.900 118.047 1.853 19232 4534 1 19 . 1 1 79 79 HIS H H 79 9.105 9.105 7.495 1.610 19232 4535 1 19 . 1 1 80 80 GLU N N 80 118.200 118.200 118.918 -0.718 19232 4536 1 19 . 1 1 80 80 GLU H H 80 7.690 7.690 7.475 0.215 19232 4537 1 19 . 1 1 81 81 ALA N N 81 123.500 123.500 122.792 0.708 19232 4538 1 19 . 1 1 81 81 ALA H H 81 7.695 7.695 7.423 0.272 19232 4539 1 19 . 1 1 82 82 GLU N N 82 116.400 116.400 117.425 -1.025 19232 4540 1 19 . 1 1 82 82 GLU H H 82 8.450 8.450 7.817 0.633 19232 4541 1 19 . 1 1 83 83 ASN N N 83 118.500 118.500 116.727 1.773 19232 4542 1 19 . 1 1 83 83 ASN H H 83 7.835 7.835 7.687 0.148 19232 4543 1 19 . 1 1 84 84 VAL N N 84 118.300 118.300 120.741 -2.441 19232 4544 1 19 . 1 1 84 84 VAL H H 84 7.785 7.785 7.479 0.306 19232 4545 1 19 . 1 1 85 85 LEU N N 85 119.400 119.400 119.967 -0.567 19232 4546 1 19 . 1 1 85 85 LEU H H 85 7.590 7.590 7.512 0.078 19232 4547 1 19 . 1 1 86 86 GLN N N 86 113.600 113.600 117.280 -3.680 19232 4548 1 19 . 1 1 86 86 GLN H H 86 7.985 7.985 7.629 0.356 19232 4549 1 19 . 1 1 87 87 ASN N N 87 112.000 112.000 115.876 -3.876 19232 4550 1 19 . 1 1 87 87 ASN H H 87 7.545 7.545 7.754 -0.209 19232 4551 1 19 . 1 1 88 88 PHE N N 88 121.900 121.900 118.718 3.182 19232 4552 1 19 . 1 1 88 88 PHE H H 88 8.265 8.265 7.603 0.662 19232 4553 1 19 . 1 1 89 89 ASN N N 89 126.900 126.900 116.201 10.699 19232 4554 1 19 . 1 1 89 89 ASN H H 89 8.515 8.515 7.493 1.022 19232 4555 1 19 . 1 1 90 90 LYS N N 90 119.900 119.900 119.273 0.627 19232 4556 1 19 . 1 1 90 90 LYS H H 90 7.655 7.655 7.310 0.345 19232 4557 1 19 . 1 1 91 91 ASP N N 91 115.600 115.600 120.465 -4.865 19232 4558 1 19 . 1 1 91 91 ASP H H 91 8.050 8.050 7.901 0.149 19232 4559 1 19 . 1 1 92 92 GLY N N 92 108.400 108.400 107.451 0.949 19232 4560 1 19 . 1 1 92 92 GLY H H 92 7.425 7.425 8.475 -1.050 19232 4561 1 19 . 1 1 93 93 ALA N N 93 122.000 122.000 121.797 0.203 19232 4562 1 19 . 1 1 93 93 ALA H H 93 7.545 7.545 7.537 0.008 19232 4563 1 19 . 1 1 94 94 LEU N N 94 115.600 115.600 115.461 0.139 19232 4564 1 19 . 1 1 94 94 LEU H H 94 8.455 8.455 8.240 0.215 19232 4565 1 19 . 1 1 96 96 LEU N N 96 115.700 115.700 118.406 -2.706 19232 4566 1 19 . 1 1 96 96 LEU H H 96 5.775 5.775 7.634 -1.859 19232 4567 1 19 . 1 1 97 97 ARG N N 97 123.300 123.300 122.924 0.376 19232 4568 1 19 . 1 1 97 97 ARG H H 97 8.290 8.290 8.894 -0.604 19232 4569 1 19 . 1 1 98 98 THR N N 98 120.000 120.000 120.633 -0.633 19232 4570 1 19 . 1 1 98 98 THR H H 98 8.280 8.280 6.721 1.558 19232 4571 1 19 . 1 1 99 99 ARG N N 99 122.300 122.300 124.939 -2.639 19232 4572 1 19 . 1 1 99 99 ARG H H 99 9.005 9.005 8.890 0.115 19232 4573 1 19 . 1 1 100 100 TRP N N 100 120.100 120.100 122.031 -1.931 19232 4574 1 19 . 1 1 100 100 TRP H H 100 8.325 8.325 7.991 0.334 19232 4575 1 19 . 1 1 101 101 GLY N N 101 107.300 107.300 107.538 -0.238 19232 4576 1 19 . 1 1 101 101 GLY H H 101 8.940 8.940 8.585 0.355 19232 4577 1 19 . 1 1 102 102 VAL N N 102 119.800 119.800 119.649 0.151 19232 4578 1 19 . 1 1 102 102 VAL H H 102 8.130 8.130 8.479 -0.349 19232 4579 1 19 . 1 1 103 103 GLY N N 103 117.200 117.200 115.506 1.694 19232 4580 1 19 . 1 1 103 103 GLY H H 103 9.440 9.440 8.448 0.992 19232 4581 1 19 . 1 1 104 104 PHE N N 104 120.600 120.600 119.977 0.623 19232 4582 1 19 . 1 1 104 104 PHE H H 104 7.280 7.280 7.501 -0.221 19232 4583 1 19 . 1 1 105 105 GLY N N 105 117.100 117.100 107.747 9.353 19232 4584 1 19 . 1 1 105 105 GLY H H 105 8.565 8.565 8.668 -0.103 19232 4585 1 19 . 1 1 109 109 CYS N N 109 115.300 115.300 120.078 -4.778 19232 4586 1 19 . 1 1 109 109 CYS H H 109 6.915 6.915 8.170 -1.255 19232 4587 1 19 . 1 1 110 110 CYS N N 110 119.000 119.000 118.877 0.123 19232 4588 1 19 . 1 1 110 110 CYS H H 110 7.130 7.130 7.821 -0.691 19232 4589 1 19 . 1 1 111 111 ASP N N 111 128.800 128.800 122.054 6.746 19232 4590 1 19 . 1 1 111 111 ASP H H 111 8.245 8.245 8.073 0.172 19232 4591 1 19 . 1 1 112 112 TYR N N 112 124.400 124.400 123.190 1.210 19232 4592 1 19 . 1 1 112 112 TYR H H 112 8.425 8.425 8.820 -0.395 19232 4593 1 19 . 1 1 113 113 GLN N N 113 117.900 117.900 117.447 0.453 19232 4594 1 19 . 1 1 113 113 GLN H H 113 8.065 8.065 8.691 -0.626 19232 4595 1 19 . 1 1 114 114 HIS N N 114 114.200 114.200 116.934 -2.734 19232 4596 1 19 . 1 1 114 114 HIS H H 114 6.925 6.925 7.819 -0.894 19232 4597 1 19 . 1 1 115 115 GLY N N 115 109.200 109.200 107.197 2.003 19232 4598 1 19 . 1 1 115 115 GLY H H 115 8.430 8.430 7.516 0.914 19232 4599 1 19 . 1 1 116 116 TYR N N 116 115.800 115.800 120.569 -4.769 19232 4600 1 19 . 1 1 116 116 TYR H H 116 6.695 6.695 7.364 -0.669 19232 4601 1 19 . 1 1 117 117 SER N N 117 116.200 116.200 114.751 1.449 19232 4602 1 19 . 1 1 117 117 SER H H 117 8.745 8.745 7.515 1.230 19232 4603 1 19 . 1 1 118 118 ILE N N 118 126.500 126.500 119.541 6.959 19232 4604 1 19 . 1 1 118 118 ILE H H 118 7.560 7.560 8.046 -0.486 19232 4605 1 19 . 1 1 121 121 MET N N 121 124.000 124.000 114.775 9.225 19232 4606 1 19 . 1 1 121 121 MET H H 121 8.885 8.885 8.510 0.375 19232 4607 1 19 . 1 1 122 122 HIS N N 122 113.700 113.700 118.283 -4.583 19232 4608 1 19 . 1 1 122 122 HIS H H 122 7.855 7.855 7.994 -0.139 19232 4609 1 19 . 1 1 123 123 ARG N N 123 117.500 117.500 120.288 -2.788 19232 4610 1 19 . 1 1 123 123 ARG H H 123 7.320 7.320 7.758 -0.438 19232 4611 1 19 . 1 1 124 124 LEU N N 124 119.300 119.300 118.937 0.363 19232 4612 1 19 . 1 1 124 124 LEU H H 124 7.120 7.120 7.211 -0.091 19232 4613 1 19 . 1 1 125 125 THR N N 125 116.000 116.000 109.969 6.031 19232 4614 1 19 . 1 1 125 125 THR H H 125 9.485 9.485 7.690 1.795 19232 4615 1 19 . 1 1 126 126 ASP N N 126 121.700 121.700 121.726 -0.026 19232 4616 1 19 . 1 1 126 126 ASP H H 126 8.750 8.750 7.883 0.867 19232 4617 1 19 . 1 1 127 127 ALA N N 127 123.300 123.300 121.574 1.726 19232 4618 1 19 . 1 1 127 127 ALA H H 127 8.105 8.105 7.471 0.634 19232 4619 1 19 . 1 1 128 128 ASP N N 128 118.700 118.700 117.081 1.619 19232 4620 1 19 . 1 1 128 128 ASP H H 128 7.675 7.675 7.868 -0.193 19232 4621 1 19 . 1 1 129 129 LYS N N 129 120.100 120.100 119.983 0.117 19232 4622 1 19 . 1 1 129 129 LYS H H 129 7.985 7.985 7.637 0.348 19232 4623 1 19 . 1 1 130 130 LYS N N 130 121.500 121.500 117.502 3.998 19232 4624 1 19 . 1 1 130 130 LYS H H 130 7.705 7.705 7.299 0.406 19232 4625 1 19 . 1 1 131 131 TRP N N 131 122.200 122.200 117.886 4.314 19232 4626 1 19 . 1 1 131 131 TRP H H 131 8.905 8.905 7.374 1.531 19232 4627 1 19 . 1 1 132 132 SER N N 132 111.800 111.800 111.645 0.155 19232 4628 1 19 . 1 1 132 132 SER H H 132 7.880 7.880 7.713 0.167 19232 4629 1 19 . 1 1 133 133 VAL N N 133 110.900 110.900 119.512 -8.612 19232 4630 1 19 . 1 1 133 133 VAL H H 133 6.685 6.685 7.170 -0.485 19232 4631 1 19 . 1 1 134 134 SER N N 134 112.900 112.900 118.112 -5.212 19232 4632 1 19 . 1 1 134 134 SER H H 134 7.495 7.495 7.888 -0.393 19232 4633 1 19 . 1 1 135 135 ALA N N 135 125.800 125.800 122.735 3.065 19232 4634 1 19 . 1 1 135 135 ALA H H 135 7.735 7.735 7.436 0.299 19232 4635 1 19 . 1 1 136 136 GLN N N 136 118.500 118.500 119.880 -1.380 19232 4636 1 19 . 1 1 136 136 GLN H H 136 8.825 8.825 7.504 1.321 19232 4637 1 19 . 1 1 137 137 TRP N N 137 120.200 120.200 128.023 -7.823 19232 4638 1 19 . 1 1 137 137 TRP H H 137 8.385 8.385 8.915 -0.530 19232 4639 1 19 . 1 1 138 138 GLY N N 138 107.300 107.300 106.361 0.939 19232 4640 1 19 . 1 1 138 138 GLY H H 138 8.400 8.400 7.812 0.588 19232 4641 1 19 . 1 1 139 139 GLY N N 139 101.600 101.600 108.739 -7.139 19232 4642 1 19 . 1 1 139 139 GLY H H 139 8.400 8.400 7.823 0.577 19232 4643 1 19 . 1 1 140 140 THR N N 140 107.900 107.900 111.936 -4.036 19232 4644 1 19 . 1 1 140 140 THR H H 140 8.495 8.495 8.280 0.215 19232 4645 1 19 . 1 1 141 141 SER N N 141 120.200 120.200 115.568 4.632 19232 4646 1 19 . 1 1 141 141 SER H H 141 9.350 9.350 8.578 0.772 19232 4647 1 19 . 1 1 142 142 GLY N N 142 105.800 105.800 107.441 -1.641 19232 4648 1 19 . 1 1 142 142 GLY H H 142 7.880 7.880 8.598 -0.718 19232 4649 1 19 . 1 1 143 143 GLN N N 143 123.100 123.100 118.793 4.307 19232 4650 1 19 . 1 1 143 143 GLN H H 143 7.350 7.350 7.573 -0.223 19232 4651 1 19 . 1 1 145 145 LEU N N 145 118.500 118.500 113.960 4.540 19232 4652 1 19 . 1 1 145 145 LEU H H 145 8.130 8.130 7.502 0.628 19232 4653 1 19 . 1 1 146 146 VAL N N 146 116.600 116.600 112.170 4.430 19232 4654 1 19 . 1 1 146 146 VAL H H 146 6.550 6.550 7.209 -0.659 19232 4655 1 19 . 1 1 147 147 THR N N 147 117.400 117.400 113.875 3.525 19232 4656 1 19 . 1 1 147 147 THR H H 147 8.355 8.355 7.657 0.698 19232 4657 1 19 . 1 1 148 148 GLY N N 148 113.700 113.700 109.487 4.213 19232 4658 1 19 . 1 1 148 148 GLY H H 148 8.970 8.970 7.740 1.230 19232 4659 1 19 . 1 1 149 149 ILE N N 149 121.700 121.700 124.296 -2.596 19232 4660 1 19 . 1 1 149 149 ILE H H 149 7.865 7.865 7.701 0.164 19232 4661 1 19 . 1 1 150 150 VAL N N 150 125.800 125.800 116.450 9.350 19232 4662 1 19 . 1 1 150 150 VAL H H 150 8.120 8.120 7.379 0.741 19232 4663 1 19 . 1 1 151 151 PHE N N 151 118.300 118.300 120.528 -2.228 19232 4664 1 19 . 1 1 151 151 PHE H H 151 7.965 7.965 7.619 0.346 19232 4665 1 19 . 1 1 152 152 GLU N N 152 118.100 118.100 121.924 -3.824 19232 4666 1 19 . 1 1 152 152 GLU H H 152 9.530 9.530 8.961 0.569 19232 4667 1 19 . 1 1 158 158 VAL N N 158 126.000 126.000 120.407 5.593 19232 4668 1 19 . 1 1 158 158 VAL H H 158 8.200 8.200 8.332 -0.132 19232 4669 1 19 . 1 1 159 159 GLY N N 159 113.000 113.000 110.487 2.513 19232 4670 1 19 . 1 1 159 159 GLY H H 159 8.440 8.440 7.771 0.669 19232 4671 1 19 . 1 1 160 160 GLU N N 160 120.700 120.700 120.543 0.157 19232 4672 1 19 . 1 1 160 160 GLU H H 160 8.270 8.270 8.629 -0.359 19232 4673 1 19 . 1 1 162 162 VAL N N 162 120.000 120.000 116.489 3.511 19232 4674 1 19 . 1 1 162 162 VAL H H 162 7.960 7.960 7.773 0.187 19232 4675 1 20 . 1 1 18 18 SER N N 18 122.200 122.200 113.371 8.829 19232 4676 1 20 . 1 1 18 18 SER H H 18 8.786 8.786 7.485 1.301 19232 4677 1 20 . 1 1 19 19 TYR N N 19 115.700 115.700 118.987 -3.287 19232 4678 1 20 . 1 1 19 19 TYR H H 19 8.135 8.135 7.938 0.197 19232 4679 1 20 . 1 1 20 20 ASP N N 20 126.400 126.400 120.325 6.075 19232 4680 1 20 . 1 1 20 20 ASP H H 20 9.595 9.595 7.583 2.012 19232 4681 1 20 . 1 1 22 22 THR N N 22 113.200 113.200 118.325 -5.125 19232 4682 1 20 . 1 1 22 22 THR H H 22 8.875 8.875 8.445 0.430 19232 4683 1 20 . 1 1 23 23 LEU N N 23 122.800 122.800 125.246 -2.446 19232 4684 1 20 . 1 1 23 23 LEU H H 23 6.765 6.765 7.929 -1.164 19232 4685 1 20 . 1 1 26 26 ASP N N 26 123.500 123.500 122.071 1.429 19232 4686 1 20 . 1 1 26 26 ASP H H 26 9.395 9.395 7.989 1.406 19232 4687 1 20 . 1 1 27 27 HIS N N 27 116.900 116.900 120.328 -3.428 19232 4688 1 20 . 1 1 27 27 HIS H H 27 7.965 7.965 8.245 -0.280 19232 4689 1 20 . 1 1 28 28 ILE N N 28 113.200 113.200 111.263 1.937 19232 4690 1 20 . 1 1 28 28 ILE H H 28 8.115 8.115 7.064 1.051 19232 4691 1 20 . 1 1 29 29 LYS N N 29 123.200 123.200 121.626 1.574 19232 4692 1 20 . 1 1 29 29 LYS H H 29 8.610 8.610 8.583 0.027 19232 4693 1 20 . 1 1 30 30 VAL N N 30 122.300 122.300 115.833 6.467 19232 4694 1 20 . 1 1 30 30 VAL H H 30 8.130 8.130 7.716 0.414 19232 4695 1 20 . 1 1 31 31 TYR N N 31 124.000 124.000 118.764 5.236 19232 4696 1 20 . 1 1 31 31 TYR H H 31 8.520 8.520 7.672 0.848 19232 4697 1 20 . 1 1 32 32 SER N N 32 117.600 117.600 118.103 -0.503 19232 4698 1 20 . 1 1 32 32 SER H H 32 7.295 7.295 8.319 -1.024 19232 4699 1 20 . 1 1 33 33 ARG N N 33 125.000 125.000 125.119 -0.119 19232 4700 1 20 . 1 1 33 33 ARG H H 33 9.485 9.485 8.569 0.916 19232 4701 1 20 . 1 1 34 34 THR N N 34 119.400 119.400 115.783 3.617 19232 4702 1 20 . 1 1 34 34 THR H H 34 9.235 9.235 8.782 0.453 19232 4703 1 20 . 1 1 35 35 LEU N N 35 126.200 126.200 128.407 -2.207 19232 4704 1 20 . 1 1 35 35 LEU H H 35 9.510 9.510 8.018 1.492 19232 4705 1 20 . 1 1 36 36 PHE N N 36 124.000 124.000 126.774 -2.774 19232 4706 1 20 . 1 1 36 36 PHE H H 36 8.820 8.820 9.475 -0.655 19232 4707 1 20 . 1 1 37 37 ILE N N 37 127.200 127.200 122.320 4.880 19232 4708 1 20 . 1 1 37 37 ILE H H 37 8.260 8.260 8.085 0.175 19232 4709 1 20 . 1 1 38 38 GLY N N 38 112.400 112.400 109.449 2.951 19232 4710 1 20 . 1 1 38 38 GLY H H 38 8.670 8.670 8.958 -0.288 19232 4711 1 20 . 1 1 39 39 GLY N N 39 108.300 108.300 108.110 0.190 19232 4712 1 20 . 1 1 39 39 GLY H H 39 8.360 8.360 8.662 -0.302 19232 4713 1 20 . 1 1 40 40 VAL N N 40 121.200 121.200 116.185 5.015 19232 4714 1 20 . 1 1 40 40 VAL H H 40 7.380 7.380 7.603 -0.223 19232 4715 1 20 . 1 1 42 42 LEU N N 42 120.800 120.800 116.454 4.346 19232 4716 1 20 . 1 1 42 42 LEU H H 42 8.225 8.225 7.475 0.750 19232 4717 1 20 . 1 1 43 43 ASN N N 43 112.300 112.300 119.817 -7.517 19232 4718 1 20 . 1 1 43 43 ASN H H 43 7.980 7.980 8.708 -0.728 19232 4719 1 20 . 1 1 44 44 MET N N 44 122.000 122.000 118.823 3.177 19232 4720 1 20 . 1 1 44 44 MET H H 44 7.470 7.470 7.672 -0.202 19232 4721 1 20 . 1 1 45 45 LYS N N 45 124.100 124.100 121.513 2.587 19232 4722 1 20 . 1 1 45 45 LYS H H 45 8.945 8.945 7.989 0.956 19232 4723 1 20 . 1 1 46 46 GLU N N 46 122.400 122.400 126.250 -3.850 19232 4724 1 20 . 1 1 46 46 GLU H H 46 9.985 9.985 8.737 1.248 19232 4725 1 20 . 1 1 47 47 TRP N N 47 115.200 115.200 117.886 -2.686 19232 4726 1 20 . 1 1 47 47 TRP H H 47 7.840 7.840 8.043 -0.203 19232 4727 1 20 . 1 1 48 48 ASP N N 48 118.900 118.900 119.889 -0.989 19232 4728 1 20 . 1 1 48 48 ASP H H 48 6.700 6.700 8.118 -1.418 19232 4729 1 20 . 1 1 49 49 LEU N N 49 120.300 120.300 119.720 0.580 19232 4730 1 20 . 1 1 49 49 LEU H H 49 7.555 7.555 7.538 0.017 19232 4731 1 20 . 1 1 50 50 ALA N N 50 118.800 118.800 121.363 -2.563 19232 4732 1 20 . 1 1 50 50 ALA H H 50 7.705 7.705 7.571 0.134 19232 4733 1 20 . 1 1 51 51 ASN N N 51 115.900 115.900 115.816 0.084 19232 4734 1 20 . 1 1 51 51 ASN H H 51 7.805 7.805 7.816 -0.011 19232 4735 1 20 . 1 1 52 52 VAL N N 52 116.000 116.000 111.304 4.696 19232 4736 1 20 . 1 1 52 52 VAL H H 52 7.855 7.855 7.333 0.522 19232 4737 1 20 . 1 1 53 53 LEU N N 53 116.700 116.700 119.428 -2.728 19232 4738 1 20 . 1 1 53 53 LEU H H 53 6.925 6.925 7.436 -0.511 19232 4739 1 20 . 1 1 54 54 LYS N N 54 122.400 122.400 121.417 0.983 19232 4740 1 20 . 1 1 54 54 LYS H H 54 7.120 7.120 7.473 -0.353 19232 4741 1 20 . 1 1 56 56 PHE N N 56 113.000 113.000 111.406 1.594 19232 4742 1 20 . 1 1 56 56 PHE H H 56 8.285 8.285 7.881 0.404 19232 4743 1 20 . 1 1 57 57 ALA N N 57 119.300 119.300 120.876 -1.576 19232 4744 1 20 . 1 1 57 57 ALA H H 57 8.155 8.155 7.078 1.077 19232 4745 1 20 . 1 1 58 58 GLU N N 58 119.300 119.300 118.876 0.424 19232 4746 1 20 . 1 1 58 58 GLU H H 58 8.130 8.130 9.104 -0.974 19232 4747 1 20 . 1 1 59 59 VAL N N 59 124.200 124.200 120.965 3.235 19232 4748 1 20 . 1 1 59 59 VAL H H 59 7.800 7.800 7.740 0.060 19232 4749 1 20 . 1 1 60 60 GLN N N 60 130.300 130.300 125.992 4.308 19232 4750 1 20 . 1 1 60 60 GLN H H 60 8.720 8.720 8.419 0.301 19232 4751 1 20 . 1 1 61 61 SER N N 61 111.000 111.000 115.602 -4.602 19232 4752 1 20 . 1 1 61 61 SER H H 61 7.560 7.560 7.682 -0.122 19232 4753 1 20 . 1 1 62 62 VAL N N 62 121.900 121.900 124.765 -2.865 19232 4754 1 20 . 1 1 62 62 VAL H H 62 8.310 8.310 8.429 -0.119 19232 4755 1 20 . 1 1 63 63 ILE N N 63 127.700 127.700 122.619 5.081 19232 4756 1 20 . 1 1 63 63 ILE H H 63 8.735 8.735 8.800 -0.065 19232 4757 1 20 . 1 1 64 64 LEU N N 64 130.400 130.400 124.820 5.580 19232 4758 1 20 . 1 1 64 64 LEU H H 64 9.160 9.160 8.451 0.709 19232 4759 1 20 . 1 1 69 69 LYS N N 69 116.400 116.400 113.455 2.945 19232 4760 1 20 . 1 1 69 69 LYS H H 69 7.665 7.665 8.146 -0.481 19232 4761 1 20 . 1 1 70 70 HIS N N 70 113.800 113.800 118.096 -4.296 19232 4762 1 20 . 1 1 70 70 HIS H H 70 7.510 7.510 7.515 -0.005 19232 4763 1 20 . 1 1 71 71 ALA N N 71 120.500 120.500 127.790 -7.290 19232 4764 1 20 . 1 1 71 71 ALA H H 71 8.745 8.745 7.816 0.929 19232 4765 1 20 . 1 1 72 72 PHE N N 72 118.100 118.100 123.174 -5.074 19232 4766 1 20 . 1 1 72 72 PHE H H 72 8.685 8.685 8.763 -0.078 19232 4767 1 20 . 1 1 73 73 VAL N N 73 125.900 125.900 120.440 5.460 19232 4768 1 20 . 1 1 73 73 VAL H H 73 9.425 9.425 9.164 0.261 19232 4769 1 20 . 1 1 74 74 LYS N N 74 129.700 129.700 121.968 7.732 19232 4770 1 20 . 1 1 74 74 LYS H H 74 8.725 8.725 7.975 0.750 19232 4771 1 20 . 1 1 75 75 VAL N N 75 118.800 118.800 121.539 -2.739 19232 4772 1 20 . 1 1 75 75 VAL H H 75 8.385 8.385 8.384 0.001 19232 4773 1 20 . 1 1 76 76 TYR N N 76 114.800 114.800 121.025 -6.225 19232 4774 1 20 . 1 1 76 76 TYR H H 76 6.995 6.995 8.588 -1.593 19232 4775 1 20 . 1 1 77 77 SER N N 77 107.200 107.200 113.581 -6.381 19232 4776 1 20 . 1 1 77 77 SER H H 77 7.150 7.150 7.553 -0.403 19232 4777 1 20 . 1 1 78 78 ARG N N 78 124.900 124.900 127.997 -3.097 19232 4778 1 20 . 1 1 78 78 ARG H H 78 9.225 9.225 9.125 0.100 19232 4779 1 20 . 1 1 79 79 HIS N N 79 119.900 119.900 119.062 0.838 19232 4780 1 20 . 1 1 79 79 HIS H H 79 9.105 9.105 7.728 1.377 19232 4781 1 20 . 1 1 80 80 GLU N N 80 118.200 118.200 119.854 -1.654 19232 4782 1 20 . 1 1 80 80 GLU H H 80 7.690 7.690 7.616 0.074 19232 4783 1 20 . 1 1 81 81 ALA N N 81 123.500 123.500 122.662 0.838 19232 4784 1 20 . 1 1 81 81 ALA H H 81 7.695 7.695 7.357 0.338 19232 4785 1 20 . 1 1 82 82 GLU N N 82 116.400 116.400 116.800 -0.400 19232 4786 1 20 . 1 1 82 82 GLU H H 82 8.450 8.450 7.669 0.781 19232 4787 1 20 . 1 1 83 83 ASN N N 83 118.500 118.500 116.470 2.030 19232 4788 1 20 . 1 1 83 83 ASN H H 83 7.835 7.835 7.439 0.396 19232 4789 1 20 . 1 1 84 84 VAL N N 84 118.300 118.300 119.936 -1.636 19232 4790 1 20 . 1 1 84 84 VAL H H 84 7.785 7.785 7.356 0.429 19232 4791 1 20 . 1 1 85 85 LEU N N 85 119.400 119.400 120.185 -0.785 19232 4792 1 20 . 1 1 85 85 LEU H H 85 7.590 7.590 7.473 0.117 19232 4793 1 20 . 1 1 86 86 GLN N N 86 113.600 113.600 116.525 -2.925 19232 4794 1 20 . 1 1 86 86 GLN H H 86 7.985 7.985 7.491 0.494 19232 4795 1 20 . 1 1 87 87 ASN N N 87 112.000 112.000 118.839 -6.839 19232 4796 1 20 . 1 1 87 87 ASN H H 87 7.545 7.545 7.396 0.149 19232 4797 1 20 . 1 1 88 88 PHE N N 88 121.900 121.900 117.144 4.756 19232 4798 1 20 . 1 1 88 88 PHE H H 88 8.265 8.265 7.487 0.778 19232 4799 1 20 . 1 1 89 89 ASN N N 89 126.900 126.900 116.459 10.441 19232 4800 1 20 . 1 1 89 89 ASN H H 89 8.515 8.515 7.673 0.842 19232 4801 1 20 . 1 1 90 90 LYS N N 90 119.900 119.900 117.688 2.212 19232 4802 1 20 . 1 1 90 90 LYS H H 90 7.655 7.655 7.408 0.247 19232 4803 1 20 . 1 1 91 91 ASP N N 91 115.600 115.600 120.311 -4.711 19232 4804 1 20 . 1 1 91 91 ASP H H 91 8.050 8.050 7.971 0.079 19232 4805 1 20 . 1 1 92 92 GLY N N 92 108.400 108.400 106.409 1.991 19232 4806 1 20 . 1 1 92 92 GLY H H 92 7.425 7.425 8.630 -1.205 19232 4807 1 20 . 1 1 93 93 ALA N N 93 122.000 122.000 120.884 1.116 19232 4808 1 20 . 1 1 93 93 ALA H H 93 7.545 7.545 7.702 -0.157 19232 4809 1 20 . 1 1 94 94 LEU N N 94 115.600 115.600 119.640 -4.040 19232 4810 1 20 . 1 1 94 94 LEU H H 94 8.455 8.455 8.421 0.034 19232 4811 1 20 . 1 1 96 96 LEU N N 96 115.700 115.700 118.239 -2.539 19232 4812 1 20 . 1 1 96 96 LEU H H 96 5.775 5.775 7.209 -1.434 19232 4813 1 20 . 1 1 97 97 ARG N N 97 123.300 123.300 123.008 0.292 19232 4814 1 20 . 1 1 97 97 ARG H H 97 8.290 8.290 8.171 0.119 19232 4815 1 20 . 1 1 98 98 THR N N 98 120.000 120.000 120.631 -0.631 19232 4816 1 20 . 1 1 98 98 THR H H 98 8.280 8.280 8.433 -0.153 19232 4817 1 20 . 1 1 99 99 ARG N N 99 122.300 122.300 125.248 -2.948 19232 4818 1 20 . 1 1 99 99 ARG H H 99 9.005 9.005 9.211 -0.206 19232 4819 1 20 . 1 1 100 100 TRP N N 100 120.100 120.100 123.154 -3.054 19232 4820 1 20 . 1 1 100 100 TRP H H 100 8.325 8.325 8.285 0.040 19232 4821 1 20 . 1 1 101 101 GLY N N 101 107.300 107.300 107.107 0.193 19232 4822 1 20 . 1 1 101 101 GLY H H 101 8.940 8.940 8.789 0.151 19232 4823 1 20 . 1 1 102 102 VAL N N 102 119.800 119.800 119.154 0.646 19232 4824 1 20 . 1 1 102 102 VAL H H 102 8.130 8.130 8.486 -0.356 19232 4825 1 20 . 1 1 103 103 GLY N N 103 117.200 117.200 115.414 1.786 19232 4826 1 20 . 1 1 103 103 GLY H H 103 9.440 9.440 8.708 0.732 19232 4827 1 20 . 1 1 104 104 PHE N N 104 120.600 120.600 119.492 1.108 19232 4828 1 20 . 1 1 104 104 PHE H H 104 7.280 7.280 7.796 -0.516 19232 4829 1 20 . 1 1 105 105 GLY N N 105 117.100 117.100 109.618 7.482 19232 4830 1 20 . 1 1 105 105 GLY H H 105 8.565 8.565 8.628 -0.063 19232 4831 1 20 . 1 1 109 109 CYS N N 109 115.300 115.300 122.929 -7.629 19232 4832 1 20 . 1 1 109 109 CYS H H 109 6.915 6.915 9.312 -2.397 19232 4833 1 20 . 1 1 110 110 CYS N N 110 119.000 119.000 119.997 -0.997 19232 4834 1 20 . 1 1 110 110 CYS H H 110 7.130 7.130 8.048 -0.918 19232 4835 1 20 . 1 1 111 111 ASP N N 111 128.800 128.800 122.592 6.208 19232 4836 1 20 . 1 1 111 111 ASP H H 111 8.245 8.245 7.902 0.343 19232 4837 1 20 . 1 1 112 112 TYR N N 112 124.400 124.400 118.436 5.964 19232 4838 1 20 . 1 1 112 112 TYR H H 112 8.425 8.425 8.404 0.021 19232 4839 1 20 . 1 1 113 113 GLN N N 113 117.900 117.900 118.054 -0.154 19232 4840 1 20 . 1 1 113 113 GLN H H 113 8.065 8.065 8.001 0.064 19232 4841 1 20 . 1 1 114 114 HIS N N 114 114.200 114.200 111.318 2.882 19232 4842 1 20 . 1 1 114 114 HIS H H 114 6.925 6.925 7.118 -0.193 19232 4843 1 20 . 1 1 115 115 GLY N N 115 109.200 109.200 109.660 -0.460 19232 4844 1 20 . 1 1 115 115 GLY H H 115 8.430 8.430 8.210 0.220 19232 4845 1 20 . 1 1 116 116 TYR N N 116 115.800 115.800 120.839 -5.039 19232 4846 1 20 . 1 1 116 116 TYR H H 116 6.695 6.695 7.722 -1.027 19232 4847 1 20 . 1 1 117 117 SER N N 117 116.200 116.200 114.968 1.232 19232 4848 1 20 . 1 1 117 117 SER H H 117 8.745 8.745 7.529 1.216 19232 4849 1 20 . 1 1 118 118 ILE N N 118 126.500 126.500 123.447 3.053 19232 4850 1 20 . 1 1 118 118 ILE H H 118 7.560 7.560 8.509 -0.949 19232 4851 1 20 . 1 1 121 121 MET N N 121 124.000 124.000 117.753 6.247 19232 4852 1 20 . 1 1 121 121 MET H H 121 8.885 8.885 8.314 0.571 19232 4853 1 20 . 1 1 122 122 HIS N N 122 113.700 113.700 119.597 -5.897 19232 4854 1 20 . 1 1 122 122 HIS H H 122 7.855 7.855 8.082 -0.227 19232 4855 1 20 . 1 1 123 123 ARG N N 123 117.500 117.500 120.724 -3.224 19232 4856 1 20 . 1 1 123 123 ARG H H 123 7.320 7.320 7.917 -0.597 19232 4857 1 20 . 1 1 124 124 LEU N N 124 119.300 119.300 119.104 0.196 19232 4858 1 20 . 1 1 124 124 LEU H H 124 7.120 7.120 7.558 -0.438 19232 4859 1 20 . 1 1 125 125 THR N N 125 116.000 116.000 113.212 2.788 19232 4860 1 20 . 1 1 125 125 THR H H 125 9.485 9.485 7.855 1.630 19232 4861 1 20 . 1 1 126 126 ASP N N 126 121.700 121.700 121.924 -0.224 19232 4862 1 20 . 1 1 126 126 ASP H H 126 8.750 8.750 7.603 1.147 19232 4863 1 20 . 1 1 127 127 ALA N N 127 123.300 123.300 119.771 3.529 19232 4864 1 20 . 1 1 127 127 ALA H H 127 8.105 8.105 7.473 0.632 19232 4865 1 20 . 1 1 128 128 ASP N N 128 118.700 118.700 116.691 2.009 19232 4866 1 20 . 1 1 128 128 ASP H H 128 7.675 7.675 7.804 -0.129 19232 4867 1 20 . 1 1 129 129 LYS N N 129 120.100 120.100 119.977 0.123 19232 4868 1 20 . 1 1 129 129 LYS H H 129 7.985 7.985 7.504 0.481 19232 4869 1 20 . 1 1 130 130 LYS N N 130 121.500 121.500 118.771 2.729 19232 4870 1 20 . 1 1 130 130 LYS H H 130 7.705 7.705 7.262 0.443 19232 4871 1 20 . 1 1 131 131 TRP N N 131 122.200 122.200 119.488 2.712 19232 4872 1 20 . 1 1 131 131 TRP H H 131 8.905 8.905 7.309 1.596 19232 4873 1 20 . 1 1 132 132 SER N N 132 111.800 111.800 112.407 -0.607 19232 4874 1 20 . 1 1 132 132 SER H H 132 7.880 7.880 7.790 0.090 19232 4875 1 20 . 1 1 133 133 VAL N N 133 110.900 110.900 119.331 -8.431 19232 4876 1 20 . 1 1 133 133 VAL H H 133 6.685 6.685 7.252 -0.567 19232 4877 1 20 . 1 1 134 134 SER N N 134 112.900 112.900 116.366 -3.466 19232 4878 1 20 . 1 1 134 134 SER H H 134 7.495 7.495 7.535 -0.040 19232 4879 1 20 . 1 1 135 135 ALA N N 135 125.800 125.800 123.031 2.769 19232 4880 1 20 . 1 1 135 135 ALA H H 135 7.735 7.735 7.068 0.667 19232 4881 1 20 . 1 1 136 136 GLN N N 136 118.500 118.500 120.409 -1.909 19232 4882 1 20 . 1 1 136 136 GLN H H 136 8.825 8.825 8.802 0.023 19232 4883 1 20 . 1 1 137 137 TRP N N 137 120.200 120.200 117.818 2.382 19232 4884 1 20 . 1 1 137 137 TRP H H 137 8.385 8.385 7.325 1.060 19232 4885 1 20 . 1 1 138 138 GLY N N 138 107.300 107.300 107.852 -0.552 19232 4886 1 20 . 1 1 138 138 GLY H H 138 8.400 8.400 7.323 1.077 19232 4887 1 20 . 1 1 139 139 GLY N N 139 101.600 101.600 107.610 -6.010 19232 4888 1 20 . 1 1 139 139 GLY H H 139 8.400 8.400 8.303 0.097 19232 4889 1 20 . 1 1 140 140 THR N N 140 107.900 107.900 111.835 -3.935 19232 4890 1 20 . 1 1 140 140 THR H H 140 8.495 8.495 8.332 0.163 19232 4891 1 20 . 1 1 141 141 SER N N 141 120.200 120.200 114.915 5.285 19232 4892 1 20 . 1 1 141 141 SER H H 141 9.350 9.350 7.934 1.416 19232 4893 1 20 . 1 1 142 142 GLY N N 142 105.800 105.800 109.479 -3.679 19232 4894 1 20 . 1 1 142 142 GLY H H 142 7.880 7.880 8.341 -0.461 19232 4895 1 20 . 1 1 143 143 GLN N N 143 123.100 123.100 117.940 5.160 19232 4896 1 20 . 1 1 143 143 GLN H H 143 7.350 7.350 8.011 -0.661 19232 4897 1 20 . 1 1 145 145 LEU N N 145 118.500 118.500 115.849 2.651 19232 4898 1 20 . 1 1 145 145 LEU H H 145 8.130 8.130 7.767 0.363 19232 4899 1 20 . 1 1 146 146 VAL N N 146 116.600 116.600 113.735 2.865 19232 4900 1 20 . 1 1 146 146 VAL H H 146 6.550 6.550 7.480 -0.930 19232 4901 1 20 . 1 1 147 147 THR N N 147 117.400 117.400 113.829 3.571 19232 4902 1 20 . 1 1 147 147 THR H H 147 8.355 8.355 7.401 0.954 19232 4903 1 20 . 1 1 148 148 GLY N N 148 113.700 113.700 109.088 4.612 19232 4904 1 20 . 1 1 148 148 GLY H H 148 8.970 8.970 7.735 1.235 19232 4905 1 20 . 1 1 149 149 ILE N N 149 121.700 121.700 119.820 1.880 19232 4906 1 20 . 1 1 149 149 ILE H H 149 7.865 7.865 7.408 0.457 19232 4907 1 20 . 1 1 150 150 VAL N N 150 125.800 125.800 109.686 16.114 19232 4908 1 20 . 1 1 150 150 VAL H H 150 8.120 8.120 7.800 0.320 19232 4909 1 20 . 1 1 151 151 PHE N N 151 118.300 118.300 118.173 0.127 19232 4910 1 20 . 1 1 151 151 PHE H H 151 7.965 7.965 7.660 0.305 19232 4911 1 20 . 1 1 152 152 GLU N N 152 118.100 118.100 119.848 -1.748 19232 4912 1 20 . 1 1 152 152 GLU H H 152 9.530 9.530 8.872 0.658 19232 4913 1 20 . 1 1 158 158 VAL N N 158 126.000 126.000 125.049 0.951 19232 4914 1 20 . 1 1 158 158 VAL H H 158 8.200 8.200 8.304 -0.104 19232 4915 1 20 . 1 1 159 159 GLY N N 159 113.000 113.000 111.412 1.588 19232 4916 1 20 . 1 1 159 159 GLY H H 159 8.440 8.440 8.514 -0.074 19232 4917 1 20 . 1 1 160 160 GLU N N 160 120.700 120.700 119.824 0.876 19232 4918 1 20 . 1 1 160 160 GLU H H 160 8.270 8.270 8.484 -0.214 19232 4919 1 20 . 1 1 162 162 VAL N N 162 120.000 120.000 120.189 -0.189 19232 4920 1 20 . 1 1 162 162 VAL H H 162 7.960 7.960 8.166 -0.206 19232 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 123 4.400 -0.391 4.400 19232 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19232 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19232 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19232 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19232 6 1 1 "Average Difference" HN 123 0.709 -0.139 0.698 19232 7 1 2 "Average Difference" N 123 3.993 -0.356 3.994 19232 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19232 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19232 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19232 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19232 12 1 2 "Average Difference" HN 123 0.721 -0.162 0.705 19232 13 1 3 "Average Difference" N 123 4.175 -0.250 4.185 19232 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19232 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19232 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19232 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19232 18 1 3 "Average Difference" HN 123 0.694 -0.156 0.679 19232 19 1 4 "Average Difference" N 123 4.249 -0.079 4.265 19232 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19232 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19232 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19232 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19232 24 1 4 "Average Difference" HN 123 0.718 -0.117 0.711 19232 25 1 5 "Average Difference" N 123 4.369 -0.271 4.379 19232 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19232 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19232 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19232 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19232 30 1 5 "Average Difference" HN 123 0.728 -0.152 0.715 19232 31 1 6 "Average Difference" N 123 4.283 -0.048 4.301 19232 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19232 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19232 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19232 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19232 36 1 6 "Average Difference" HN 123 0.781 -0.131 0.773 19232 37 1 7 "Average Difference" N 123 4.666 0.077 4.684 19232 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19232 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19232 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19232 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19232 42 1 7 "Average Difference" HN 123 0.743 -0.097 0.740 19232 43 1 8 "Average Difference" N 123 4.152 -0.295 4.159 19232 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19232 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19232 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19232 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19232 48 1 8 "Average Difference" HN 123 0.759 -0.120 0.753 19232 49 1 9 "Average Difference" N 123 4.058 -0.282 4.065 19232 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19232 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19232 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19232 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19232 54 1 9 "Average Difference" HN 123 0.730 -0.156 0.716 19232 55 1 10 "Average Difference" N 123 4.203 -0.496 4.191 19232 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19232 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19232 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19232 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19232 60 1 10 "Average Difference" HN 123 0.738 -0.174 0.720 19232 61 1 11 "Average Difference" N 123 3.916 -0.219 3.926 19232 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19232 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19232 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19232 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19232 66 1 11 "Average Difference" HN 123 0.736 -0.182 0.716 19232 67 1 12 "Average Difference" N 123 4.305 -0.025 4.323 19232 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19232 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19232 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19232 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19232 72 1 12 "Average Difference" HN 123 0.773 -0.176 0.756 19232 73 1 13 "Average Difference" N 123 4.270 -0.557 4.251 19232 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19232 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19232 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19232 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19232 78 1 13 "Average Difference" HN 123 0.732 -0.121 0.725 19232 79 1 14 "Average Difference" N 123 4.286 -0.386 4.286 19232 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19232 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19232 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19232 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19232 84 1 14 "Average Difference" HN 123 0.720 -0.163 0.704 19232 85 1 15 "Average Difference" N 123 4.222 -0.192 4.235 19232 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19232 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19232 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19232 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19232 90 1 15 "Average Difference" HN 123 0.729 -0.116 0.722 19232 91 1 16 "Average Difference" N 123 4.152 -0.241 4.162 19232 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19232 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19232 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19232 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19232 96 1 16 "Average Difference" HN 123 0.721 -0.104 0.716 19232 97 1 17 "Average Difference" N 123 4.329 -0.417 4.326 19232 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19232 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19232 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19232 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19232 102 1 17 "Average Difference" HN 123 0.715 -0.119 0.708 19232 103 1 18 "Average Difference" N 123 4.310 -0.352 4.313 19232 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19232 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19232 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19232 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19232 108 1 18 "Average Difference" HN 123 0.740 -0.131 0.731 19232 109 1 19 "Average Difference" N 123 4.303 -0.736 4.257 19232 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19232 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19232 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19232 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19232 114 1 19 "Average Difference" HN 123 0.699 -0.157 0.684 19232 115 1 20 "Average Difference" N 123 4.103 -0.460 4.094 19232 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19232 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19232 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19232 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19232 120 1 20 "Average Difference" HN 123 0.743 -0.146 0.731 19232 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19232 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 18 18 SER N N 18 122.200 122.200 118.112 4.088 19232 2 1 . 1 1 18 18 SER H H 18 8.786 8.786 8.181 0.605 19232 3 1 . 1 1 19 19 TYR N N 19 115.700 115.700 120.555 -4.855 19232 4 1 . 1 1 19 19 TYR H H 19 8.135 8.135 8.242 -0.107 19232 5 1 . 1 1 20 20 ASP N N 20 126.400 126.400 122.257 4.143 19232 6 1 . 1 1 20 20 ASP H H 20 9.595 9.595 8.211 1.384 19232 7 1 . 1 1 22 22 THR N N 22 113.200 113.200 115.164 -1.964 19232 8 1 . 1 1 22 22 THR H H 22 8.875 8.875 8.067 0.808 19232 9 1 . 1 1 23 23 LEU N N 23 122.800 122.800 123.538 -0.738 19232 10 1 . 1 1 23 23 LEU H H 23 6.765 6.765 7.948 -1.183 19232 11 1 . 1 1 26 26 ASP N N 26 123.500 123.500 119.191 4.309 19232 12 1 . 1 1 26 26 ASP H H 26 9.395 9.395 8.030 1.365 19232 13 1 . 1 1 27 27 HIS N N 27 116.900 116.900 118.755 -1.855 19232 14 1 . 1 1 27 27 HIS H H 27 7.965 7.965 8.375 -0.410 19232 15 1 . 1 1 28 28 ILE N N 28 113.200 113.200 119.894 -6.694 19232 16 1 . 1 1 28 28 ILE H H 28 8.115 8.115 7.929 0.186 19232 17 1 . 1 1 29 29 LYS N N 29 123.200 123.200 126.157 -2.957 19232 18 1 . 1 1 29 29 LYS H H 29 8.610 8.610 8.567 0.043 19232 19 1 . 1 1 30 30 VAL N N 30 122.300 122.300 117.216 5.084 19232 20 1 . 1 1 30 30 VAL H H 30 8.130 8.130 7.667 0.463 19232 21 1 . 1 1 31 31 TYR N N 31 124.000 124.000 121.700 2.300 19232 22 1 . 1 1 31 31 TYR H H 31 8.520 8.520 7.869 0.651 19232 23 1 . 1 1 32 32 SER N N 32 117.600 117.600 118.215 -0.615 19232 24 1 . 1 1 32 32 SER H H 32 7.295 7.295 8.274 -0.979 19232 25 1 . 1 1 33 33 ARG N N 33 125.000 125.000 124.148 0.852 19232 26 1 . 1 1 33 33 ARG H H 33 9.485 9.485 8.401 1.084 19232 27 1 . 1 1 34 34 THR N N 34 119.400 119.400 115.536 3.864 19232 28 1 . 1 1 34 34 THR H H 34 9.235 9.235 8.168 1.067 19232 29 1 . 1 1 35 35 LEU N N 35 126.200 126.200 125.664 0.536 19232 30 1 . 1 1 35 35 LEU H H 35 9.510 9.510 8.139 1.371 19232 31 1 . 1 1 36 36 PHE N N 36 124.000 124.000 127.146 -3.146 19232 32 1 . 1 1 36 36 PHE H H 36 8.820 8.820 9.290 -0.470 19232 33 1 . 1 1 37 37 ILE N N 37 127.200 127.200 123.516 3.684 19232 34 1 . 1 1 37 37 ILE H H 37 8.260 8.260 8.160 0.100 19232 35 1 . 1 1 38 38 GLY N N 38 112.400 112.400 109.950 2.450 19232 36 1 . 1 1 38 38 GLY H H 38 8.670 8.670 8.504 0.166 19232 37 1 . 1 1 39 39 GLY N N 39 108.300 108.300 108.147 0.153 19232 38 1 . 1 1 39 39 GLY H H 39 8.360 8.360 8.378 -0.018 19232 39 1 . 1 1 40 40 VAL N N 40 121.200 121.200 116.739 4.461 19232 40 1 . 1 1 40 40 VAL H H 40 7.380 7.380 7.578 -0.198 19232 41 1 . 1 1 42 42 LEU N N 42 120.800 120.800 119.045 1.755 19232 42 1 . 1 1 42 42 LEU H H 42 8.225 8.225 7.572 0.653 19232 43 1 . 1 1 43 43 ASN N N 43 112.300 112.300 120.622 -8.322 19232 44 1 . 1 1 43 43 ASN H H 43 7.980 7.980 8.662 -0.682 19232 45 1 . 1 1 44 44 MET N N 44 122.000 122.000 116.199 5.800 19232 46 1 . 1 1 44 44 MET H H 44 7.470 7.470 7.781 -0.311 19232 47 1 . 1 1 45 45 LYS N N 45 124.100 124.100 120.223 3.877 19232 48 1 . 1 1 45 45 LYS H H 45 8.945 8.945 7.894 1.051 19232 49 1 . 1 1 46 46 GLU N N 46 122.400 122.400 125.379 -2.979 19232 50 1 . 1 1 46 46 GLU H H 46 9.985 9.985 8.868 1.117 19232 51 1 . 1 1 47 47 TRP N N 47 115.200 115.200 117.990 -2.790 19232 52 1 . 1 1 47 47 TRP H H 47 7.840 7.840 7.837 0.003 19232 53 1 . 1 1 48 48 ASP N N 48 118.900 118.900 119.597 -0.697 19232 54 1 . 1 1 48 48 ASP H H 48 6.700 6.700 7.741 -1.041 19232 55 1 . 1 1 49 49 LEU N N 49 120.300 120.300 119.922 0.378 19232 56 1 . 1 1 49 49 LEU H H 49 7.555 7.555 7.570 -0.015 19232 57 1 . 1 1 50 50 ALA N N 50 118.800 118.800 121.229 -2.429 19232 58 1 . 1 1 50 50 ALA H H 50 7.705 7.705 7.575 0.130 19232 59 1 . 1 1 51 51 ASN N N 51 115.900 115.900 115.786 0.114 19232 60 1 . 1 1 51 51 ASN H H 51 7.805 7.805 7.832 -0.027 19232 61 1 . 1 1 52 52 VAL N N 52 116.000 116.000 112.744 3.256 19232 62 1 . 1 1 52 52 VAL H H 52 7.855 7.855 7.284 0.571 19232 63 1 . 1 1 53 53 LEU N N 53 116.700 116.700 119.597 -2.897 19232 64 1 . 1 1 53 53 LEU H H 53 6.925 6.925 7.434 -0.509 19232 65 1 . 1 1 54 54 LYS N N 54 122.400 122.400 121.077 1.323 19232 66 1 . 1 1 54 54 LYS H H 54 7.120 7.120 7.622 -0.502 19232 67 1 . 1 1 56 56 PHE N N 56 113.000 113.000 115.174 -2.174 19232 68 1 . 1 1 56 56 PHE H H 56 8.285 8.285 7.883 0.402 19232 69 1 . 1 1 57 57 ALA N N 57 119.300 119.300 119.260 0.040 19232 70 1 . 1 1 57 57 ALA H H 57 8.155 8.155 7.195 0.960 19232 71 1 . 1 1 58 58 GLU N N 58 119.300 119.300 120.210 -0.910 19232 72 1 . 1 1 58 58 GLU H H 58 8.130 8.130 8.722 -0.592 19232 73 1 . 1 1 59 59 VAL N N 59 124.200 124.200 121.829 2.371 19232 74 1 . 1 1 59 59 VAL H H 59 7.800 7.800 7.872 -0.072 19232 75 1 . 1 1 60 60 GLN N N 60 130.300 130.300 126.279 4.021 19232 76 1 . 1 1 60 60 GLN H H 60 8.720 8.720 8.613 0.107 19232 77 1 . 1 1 61 61 SER N N 61 111.000 111.000 115.801 -4.801 19232 78 1 . 1 1 61 61 SER H H 61 7.560 7.560 7.696 -0.136 19232 79 1 . 1 1 62 62 VAL N N 62 121.900 121.900 125.377 -3.477 19232 80 1 . 1 1 62 62 VAL H H 62 8.310 8.310 8.511 -0.201 19232 81 1 . 1 1 63 63 ILE N N 63 127.700 127.700 125.034 2.666 19232 82 1 . 1 1 63 63 ILE H H 63 8.735 8.735 8.879 -0.143 19232 83 1 . 1 1 64 64 LEU N N 64 130.400 130.400 126.879 3.521 19232 84 1 . 1 1 64 64 LEU H H 64 9.160 9.160 8.522 0.638 19232 85 1 . 1 1 69 69 LYS N N 69 116.400 116.400 116.424 -0.024 19232 86 1 . 1 1 69 69 LYS H H 69 7.665 7.665 8.049 -0.384 19232 87 1 . 1 1 70 70 HIS N N 70 113.800 113.800 116.945 -3.145 19232 88 1 . 1 1 70 70 HIS H H 70 7.510 7.510 7.486 0.023 19232 89 1 . 1 1 71 71 ALA N N 71 120.500 120.500 124.449 -3.950 19232 90 1 . 1 1 71 71 ALA H H 71 8.745 8.745 8.280 0.465 19232 91 1 . 1 1 72 72 PHE N N 72 118.100 118.100 120.408 -2.308 19232 92 1 . 1 1 72 72 PHE H H 72 8.685 8.685 8.779 -0.094 19232 93 1 . 1 1 73 73 VAL N N 73 125.900 125.900 117.578 8.322 19232 94 1 . 1 1 73 73 VAL H H 73 9.425 9.425 8.905 0.520 19232 95 1 . 1 1 74 74 LYS N N 74 129.700 129.700 122.405 7.295 19232 96 1 . 1 1 74 74 LYS H H 74 8.725 8.725 8.349 0.376 19232 97 1 . 1 1 75 75 VAL N N 75 118.800 118.800 120.166 -1.366 19232 98 1 . 1 1 75 75 VAL H H 75 8.385 8.385 8.380 0.005 19232 99 1 . 1 1 76 76 TYR N N 76 114.800 114.800 122.446 -7.646 19232 100 1 . 1 1 76 76 TYR H H 76 6.995 6.995 8.435 -1.440 19232 101 1 . 1 1 77 77 SER N N 77 107.200 107.200 114.243 -7.043 19232 102 1 . 1 1 77 77 SER H H 77 7.150 7.150 7.559 -0.409 19232 103 1 . 1 1 78 78 ARG N N 78 124.900 124.900 125.727 -0.827 19232 104 1 . 1 1 78 78 ARG H H 78 9.225 9.225 8.844 0.381 19232 105 1 . 1 1 79 79 HIS N N 79 119.900 119.900 116.961 2.939 19232 106 1 . 1 1 79 79 HIS H H 79 9.105 9.105 7.862 1.243 19232 107 1 . 1 1 80 80 GLU N N 80 118.200 118.200 119.142 -0.942 19232 108 1 . 1 1 80 80 GLU H H 80 7.690 7.690 7.669 0.021 19232 109 1 . 1 1 81 81 ALA N N 81 123.500 123.500 122.591 0.909 19232 110 1 . 1 1 81 81 ALA H H 81 7.695 7.695 7.410 0.285 19232 111 1 . 1 1 82 82 GLU N N 82 116.400 116.400 117.289 -0.889 19232 112 1 . 1 1 82 82 GLU H H 82 8.450 8.450 7.704 0.746 19232 113 1 . 1 1 83 83 ASN N N 83 118.500 118.500 117.120 1.380 19232 114 1 . 1 1 83 83 ASN H H 83 7.835 7.835 7.572 0.263 19232 115 1 . 1 1 84 84 VAL N N 84 118.300 118.300 120.988 -2.688 19232 116 1 . 1 1 84 84 VAL H H 84 7.785 7.785 7.337 0.448 19232 117 1 . 1 1 85 85 LEU N N 85 119.400 119.400 118.240 1.160 19232 118 1 . 1 1 85 85 LEU H H 85 7.590 7.590 7.489 0.101 19232 119 1 . 1 1 86 86 GLN N N 86 113.600 113.600 117.644 -4.044 19232 120 1 . 1 1 86 86 GLN H H 86 7.985 7.985 7.579 0.406 19232 121 1 . 1 1 87 87 ASN N N 87 112.000 112.000 117.595 -5.595 19232 122 1 . 1 1 87 87 ASN H H 87 7.545 7.545 7.528 0.017 19232 123 1 . 1 1 88 88 PHE N N 88 121.900 121.900 117.043 4.857 19232 124 1 . 1 1 88 88 PHE H H 88 8.265 8.265 7.859 0.406 19232 125 1 . 1 1 89 89 ASN N N 89 126.900 126.900 116.316 10.584 19232 126 1 . 1 1 89 89 ASN H H 89 8.515 8.515 7.681 0.834 19232 127 1 . 1 1 90 90 LYS N N 90 119.900 119.900 118.319 1.581 19232 128 1 . 1 1 90 90 LYS H H 90 7.655 7.655 7.578 0.077 19232 129 1 . 1 1 91 91 ASP N N 91 115.600 115.600 119.854 -4.254 19232 130 1 . 1 1 91 91 ASP H H 91 8.050 8.050 7.791 0.259 19232 131 1 . 1 1 92 92 GLY N N 92 108.400 108.400 107.599 0.801 19232 132 1 . 1 1 92 92 GLY H H 92 7.425 7.425 8.436 -1.011 19232 133 1 . 1 1 93 93 ALA N N 93 122.000 122.000 121.065 0.935 19232 134 1 . 1 1 93 93 ALA H H 93 7.545 7.545 7.998 -0.453 19232 135 1 . 1 1 94 94 LEU N N 94 115.600 115.600 121.025 -5.425 19232 136 1 . 1 1 94 94 LEU H H 94 8.455 8.455 8.051 0.404 19232 137 1 . 1 1 96 96 LEU N N 96 115.700 115.700 119.496 -3.796 19232 138 1 . 1 1 96 96 LEU H H 96 5.775 5.775 7.421 -1.646 19232 139 1 . 1 1 97 97 ARG N N 97 123.300 123.300 124.203 -0.903 19232 140 1 . 1 1 97 97 ARG H H 97 8.290 8.290 8.511 -0.221 19232 141 1 . 1 1 98 98 THR N N 98 120.000 120.000 117.901 2.099 19232 142 1 . 1 1 98 98 THR H H 98 8.280 8.280 8.056 0.224 19232 143 1 . 1 1 99 99 ARG N N 99 122.300 122.300 125.143 -2.844 19232 144 1 . 1 1 99 99 ARG H H 99 9.005 9.005 8.923 0.082 19232 145 1 . 1 1 100 100 TRP N N 100 120.100 120.100 122.484 -2.384 19232 146 1 . 1 1 100 100 TRP H H 100 8.325 8.325 8.323 0.002 19232 147 1 . 1 1 101 101 GLY N N 101 107.300 107.300 108.006 -0.706 19232 148 1 . 1 1 101 101 GLY H H 101 8.940 8.940 8.604 0.336 19232 149 1 . 1 1 102 102 VAL N N 102 119.800 119.800 119.832 -0.032 19232 150 1 . 1 1 102 102 VAL H H 102 8.130 8.130 8.293 -0.163 19232 151 1 . 1 1 103 103 GLY N N 103 117.200 117.200 114.370 2.830 19232 152 1 . 1 1 103 103 GLY H H 103 9.440 9.440 8.323 1.117 19232 153 1 . 1 1 104 104 PHE N N 104 120.600 120.600 121.112 -0.512 19232 154 1 . 1 1 104 104 PHE H H 104 7.280 7.280 7.980 -0.700 19232 155 1 . 1 1 105 105 GLY N N 105 117.100 117.100 110.682 6.418 19232 156 1 . 1 1 105 105 GLY H H 105 8.565 8.565 8.006 0.559 19232 157 1 . 1 1 109 109 CYS N N 109 115.300 115.300 120.612 -5.312 19232 158 1 . 1 1 109 109 CYS H H 109 6.915 6.915 8.395 -1.480 19232 159 1 . 1 1 110 110 CYS N N 110 119.000 119.000 120.892 -1.892 19232 160 1 . 1 1 110 110 CYS H H 110 7.130 7.130 8.049 -0.919 19232 161 1 . 1 1 111 111 ASP N N 111 128.800 128.800 122.772 6.028 19232 162 1 . 1 1 111 111 ASP H H 111 8.245 8.245 8.130 0.115 19232 163 1 . 1 1 112 112 TYR N N 112 124.400 124.400 121.712 2.688 19232 164 1 . 1 1 112 112 TYR H H 112 8.425 8.425 8.718 -0.293 19232 165 1 . 1 1 113 113 GLN N N 113 117.900 117.900 117.587 0.313 19232 166 1 . 1 1 113 113 GLN H H 113 8.065 8.065 8.298 -0.233 19232 167 1 . 1 1 114 114 HIS N N 114 114.200 114.200 115.622 -1.422 19232 168 1 . 1 1 114 114 HIS H H 114 6.925 6.925 7.854 -0.929 19232 169 1 . 1 1 115 115 GLY N N 115 109.200 109.200 107.546 1.654 19232 170 1 . 1 1 115 115 GLY H H 115 8.430 8.430 7.740 0.690 19232 171 1 . 1 1 116 116 TYR N N 116 115.800 115.800 121.534 -5.734 19232 172 1 . 1 1 116 116 TYR H H 116 6.695 6.695 7.626 -0.931 19232 173 1 . 1 1 117 117 SER N N 117 116.200 116.200 115.767 0.433 19232 174 1 . 1 1 117 117 SER H H 117 8.745 8.745 7.724 1.021 19232 175 1 . 1 1 118 118 ILE N N 118 126.500 126.500 122.112 4.388 19232 176 1 . 1 1 118 118 ILE H H 118 7.560 7.560 8.207 -0.647 19232 177 1 . 1 1 121 121 MET N N 121 124.000 124.000 115.243 8.757 19232 178 1 . 1 1 121 121 MET H H 121 8.885 8.885 8.110 0.775 19232 179 1 . 1 1 122 122 HIS N N 122 113.700 113.700 118.308 -4.608 19232 180 1 . 1 1 122 122 HIS H H 122 7.855 7.855 7.950 -0.095 19232 181 1 . 1 1 123 123 ARG N N 123 117.500 117.500 119.812 -2.312 19232 182 1 . 1 1 123 123 ARG H H 123 7.320 7.320 7.886 -0.566 19232 183 1 . 1 1 124 124 LEU N N 124 119.300 119.300 119.167 0.133 19232 184 1 . 1 1 124 124 LEU H H 124 7.120 7.120 7.585 -0.465 19232 185 1 . 1 1 125 125 THR N N 125 116.000 116.000 113.020 2.980 19232 186 1 . 1 1 125 125 THR H H 125 9.485 9.485 7.837 1.648 19232 187 1 . 1 1 126 126 ASP N N 126 121.700 121.700 122.016 -0.316 19232 188 1 . 1 1 126 126 ASP H H 126 8.750 8.750 7.651 1.099 19232 189 1 . 1 1 127 127 ALA N N 127 123.300 123.300 119.589 3.711 19232 190 1 . 1 1 127 127 ALA H H 127 8.105 8.105 7.455 0.650 19232 191 1 . 1 1 128 128 ASP N N 128 118.700 118.700 117.134 1.566 19232 192 1 . 1 1 128 128 ASP H H 128 7.675 7.675 7.799 -0.124 19232 193 1 . 1 1 129 129 LYS N N 129 120.100 120.100 119.646 0.454 19232 194 1 . 1 1 129 129 LYS H H 129 7.985 7.985 7.567 0.418 19232 195 1 . 1 1 130 130 LYS N N 130 121.500 121.500 119.026 2.474 19232 196 1 . 1 1 130 130 LYS H H 130 7.705 7.705 7.383 0.322 19232 197 1 . 1 1 131 131 TRP N N 131 122.200 122.200 118.617 3.583 19232 198 1 . 1 1 131 131 TRP H H 131 8.905 8.905 7.402 1.503 19232 199 1 . 1 1 132 132 SER N N 132 111.800 111.800 112.494 -0.694 19232 200 1 . 1 1 132 132 SER H H 132 7.880 7.880 7.769 0.111 19232 201 1 . 1 1 133 133 VAL N N 133 110.900 110.900 118.168 -7.268 19232 202 1 . 1 1 133 133 VAL H H 133 6.685 6.685 7.306 -0.621 19232 203 1 . 1 1 134 134 SER N N 134 112.900 112.900 117.091 -4.191 19232 204 1 . 1 1 134 134 SER H H 134 7.495 7.495 7.740 -0.245 19232 205 1 . 1 1 135 135 ALA N N 135 125.800 125.800 122.874 2.926 19232 206 1 . 1 1 135 135 ALA H H 135 7.735 7.735 7.897 -0.161 19232 207 1 . 1 1 136 136 GLN N N 136 118.500 118.500 118.928 -0.428 19232 208 1 . 1 1 136 136 GLN H H 136 8.825 8.825 8.124 0.701 19232 209 1 . 1 1 137 137 TRP N N 137 120.200 120.200 120.739 -0.539 19232 210 1 . 1 1 137 137 TRP H H 137 8.385 8.385 8.100 0.285 19232 211 1 . 1 1 138 138 GLY N N 138 107.300 107.300 108.225 -0.925 19232 212 1 . 1 1 138 138 GLY H H 138 8.400 8.400 7.933 0.467 19232 213 1 . 1 1 139 139 GLY N N 139 101.600 101.600 107.450 -5.850 19232 214 1 . 1 1 139 139 GLY H H 139 8.400 8.400 8.071 0.329 19232 215 1 . 1 1 140 140 THR N N 140 107.900 107.900 112.612 -4.712 19232 216 1 . 1 1 140 140 THR H H 140 8.495 8.495 8.307 0.188 19232 217 1 . 1 1 141 141 SER N N 141 120.200 120.200 114.806 5.394 19232 218 1 . 1 1 141 141 SER H H 141 9.350 9.350 8.267 1.083 19232 219 1 . 1 1 142 142 GLY N N 142 105.800 105.800 107.993 -2.193 19232 220 1 . 1 1 142 142 GLY H H 142 7.880 7.880 8.232 -0.352 19232 221 1 . 1 1 143 143 GLN N N 143 123.100 123.100 117.852 5.248 19232 222 1 . 1 1 143 143 GLN H H 143 7.350 7.350 7.792 -0.442 19232 223 1 . 1 1 145 145 LEU N N 145 118.500 118.500 115.214 3.286 19232 224 1 . 1 1 145 145 LEU H H 145 8.130 8.130 7.705 0.425 19232 225 1 . 1 1 146 146 VAL N N 146 116.600 116.600 112.770 3.830 19232 226 1 . 1 1 146 146 VAL H H 146 6.550 6.550 7.435 -0.885 19232 227 1 . 1 1 147 147 THR N N 147 117.400 117.400 112.327 5.073 19232 228 1 . 1 1 147 147 THR H H 147 8.355 8.355 7.495 0.860 19232 229 1 . 1 1 148 148 GLY N N 148 113.700 113.700 109.458 4.242 19232 230 1 . 1 1 148 148 GLY H H 148 8.970 8.970 7.698 1.272 19232 231 1 . 1 1 149 149 ILE N N 149 121.700 121.700 121.338 0.362 19232 232 1 . 1 1 149 149 ILE H H 149 7.865 7.865 7.569 0.296 19232 233 1 . 1 1 150 150 VAL N N 150 125.800 125.800 115.144 10.656 19232 234 1 . 1 1 150 150 VAL H H 150 8.120 8.120 7.822 0.298 19232 235 1 . 1 1 151 151 PHE N N 151 118.300 118.300 119.849 -1.550 19232 236 1 . 1 1 151 151 PHE H H 151 7.965 7.965 7.732 0.233 19232 237 1 . 1 1 152 152 GLU N N 152 118.100 118.100 121.596 -3.496 19232 238 1 . 1 1 152 152 GLU H H 152 9.530 9.530 8.163 1.367 19232 239 1 . 1 1 158 158 VAL N N 158 126.000 126.000 120.925 5.075 19232 240 1 . 1 1 158 158 VAL H H 158 8.200 8.200 7.979 0.221 19232 241 1 . 1 1 159 159 GLY N N 159 113.000 113.000 111.953 1.047 19232 242 1 . 1 1 159 159 GLY H H 159 8.440 8.440 8.247 0.193 19232 243 1 . 1 1 160 160 GLU N N 160 120.700 120.700 119.883 0.817 19232 244 1 . 1 1 160 160 GLU H H 160 8.270 8.270 8.396 -0.126 19232 245 1 . 1 1 162 162 VAL N N 162 120.000 120.000 118.462 1.538 19232 246 1 . 1 1 162 162 VAL H H 162 7.960 7.960 8.091 -0.131 19232 stop_ save_